2-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(3-phenylmethoxyphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine

C77H91F3N22O — CID 162207624

IUPAC2-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(3-phenylmethoxyphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine
SMILESCN(C)c1cc(Nc2ccc(C(F)(F)F)cc2)nc(N2CCN(Cc3ccccc3)CC2)n1.CN(C)c1cc(Nc2ccc(C3CCCCC3)cc2)nc(N2CCN(c3cnccn3)CC2)n1.CN(C)c1cc(Nc2cccc(OCc3ccccc3)c2)nc(N2CCN(c3cnccn3)CC2)n1
InChIInChI=1S/C27H30N8O.C26H34N8.C24H27F3N6/c1-33(2)25-18-24(30-22-9-6-10-23(17-22)36-20-21-7-4-3-5-8-21)31-27(32-25)35-15-13-34(14-16-35)26-19-28-11-12-29-26;1-32(2)24-18-23(29-22-10-8-21(9-11-22)20-6-4-3-5-7-20)30-26(31-24)34-16-14-33(15-17-34)25-19-27-12-13-28-25;1-31(2)22-16-21(28-20-10-8-19(9-11-20)24(25,26)27)29-23(30-22)33-14-12-32(13-15-33)17-18-6-4-3-5-7-18/h3-12,17-19H,13-16,20H2,1-2H3,(H,30,31,32);8-13,18-20H,3-7,14-17H2,1-2H3,(H,29,30,31);3-11,16H,12-15,17H2,1-2H3,(H,28,29,30)
InChIKeyZSKHVBMEWIQGHI-UHFFFAOYSA-N
MW1397.72 g/mol
LogP13.06
Rot. Bonds20

About 2-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(3-phenylmethoxyphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine

2-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(3-phenylmethoxyphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine (PubChem CID 162207624) has the molecular formula C77H91F3N22O and a molecular weight of 1397.72 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(3-phenylmethoxyphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(3-phenylmethoxyphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine
PubChem CID162207624
Molecular FormulaC77H91F3N22O
Molecular Weight1397.72 g/mol
Exact Mass1396.77
IUPAC Name2-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(3-phenylmethoxyphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine
SMILESCN(C)c1cc(Nc2ccc(C(F)(F)F)cc2)nc(N2CCN(Cc3ccccc3)CC2)n1.CN(C)c1cc(Nc2ccc(C3CCCCC3)cc2)nc(N2CCN(c3cnccn3)CC2)n1.CN(C)c1cc(Nc2cccc(OCc3ccccc3)c2)nc(N2CCN(c3cnccn3)CC2)n1
InChIInChI=1S/C27H30N8O.C26H34N8.C24H27F3N6/c1-33(2)25-18-24(30-22-9-6-10-23(17-22)36-20-21-7-4-3-5-8-21)31-27(32-25)35-15-13-34(14-16-35)26-19-28-11-12-29-26;1-32(2)24-18-23(29-22-10-8-21(9-11-22)20-6-4-3-5-7-20)30-26(31-24)34-16-14-33(15-17-34)25-19-27-12-13-28-25;1-31(2)22-16-21(28-20-10-8-19(9-11-20)24(25,26)27)29-23(30-22)33-14-12-32(13-15-33)17-18-6-4-3-5-7-18/h3-12,17-19H,13-16,20H2,1-2H3,(H,30,31,32);8-13,18-20H,3-7,14-17H2,1-2H3,(H,29,30,31);3-11,16H,12-15,17H2,1-2H3,(H,28,29,30)
InChIKeyZSKHVBMEWIQGHI-UHFFFAOYSA-N
XLogP13.06
TPSA203.38 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds20
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001397.72
LogP ≤ 513.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze 2-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(3-phenylmethoxyphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

N-(3-phenylpropyl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 117967861
4-([1,1'-Biphenyl]-4-ylmethylamino)-7-((1-(2-(quinolin-4-ylamino)ethyl) piperidin-4-yl)methoxy)quinazoline
CID 117968550
4-Aminoquinazoline derivative, 6b
CID 50898519
N-phenyl-N'-[7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-yl]ethane-1,2-diamine
CID 117967660
N-[2-(4-methoxyphenyl)ethyl]-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 117967691
N-(2-phenylethyl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 117976066
7-[[5-[4-amino-5-(4,4-difluorocyclohexyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-N-methylquinolin-2-amine
CID 156304051
N-[2-(4-aminophenyl)ethyl]-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 117967582
N-[2-(4-propan-2-ylphenyl)ethyl]-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 117967701
7-[[1-[2-[methyl(quinolin-4-yl)amino]ethyl]piperidin-4-yl]methoxy]-N-(3-phenylpropyl)quinazolin-4-amine
CID 117967743
7-[[1-[2-[(7-methoxyquinolin-4-yl)amino]ethyl]piperidin-4-yl]methoxy]-N-(3-phenylpropyl)quinazolin-4-amine
CID 117968400
N-benzyl-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 117968585

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(3-phenylmethoxyphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(3-phenylmethoxyphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine (CID 162207624) is 2-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(3-phenylmethoxyphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(3-phenylmethoxyphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(3-phenylmethoxyphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine is CN(C)c1cc(Nc2ccc(C(F)(F)F)cc2)nc(N2CCN(Cc3ccccc3)CC2)n1.CN(C)c1cc(Nc2ccc(C3CCCCC3)cc2)nc(N2CCN(c3cnccn3)CC2)n1.CN(C)c1cc(Nc2cccc(OCc3ccccc3)c2)nc(N2CCN(c3cnccn3)CC2)n1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(3-phenylmethoxyphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine?
The InChIKey is ZSKHVBMEWIQGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O.C26H34N8.C24H27F3N6/c1-33(2)25-18-24(30-22-9-6-10-23(17-22)36-20-21-7-4-3-5-8-21)31-27(32-25)35-15-13-34(14-16-35)26-19-28-11-12-29-26;1-32(2)24-18-23(29-22-10-8-21(9-11-22)20-6-4-3-5-7-20)30-26(31-24)34-16-14-33(15-17-34)25-19-27-12-13-28-25;1-31(2)22-16-21(28-20-10-8-19(9-11-20)24(25,26)27)29-23(30-22)33-14-12-32(13-15-33)17-18-6-4-3-5-7-18/h3-12,17-19H,13-16,20H2,1-2H3,(H,30,31,32);8-13,18-20H,3-7,14-17H2,1-2H3,(H,29,30,31);3-11,16H,12-15,17H2,1-2H3,(H,28,29,30).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(3-phenylmethoxyphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine?
2-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(3-phenylmethoxyphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine has a molecular weight of 1397.72 g/mol, XLogP of 13.06, 20 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(3-phenylmethoxyphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 162207624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).