4-N,4-N,2-trimethyl-6-N-[4-(2-phenylethylamino)cyclohexyl]pyrimidine-4,6-diamine

C21H31N5 — CID 91320744

IUPAC4-N,4-N,2-trimethyl-6-N-[4-(2-phenylethylamino)cyclohexyl]pyrimidine-4,6-diamine
SMILESCc1nc(NC2CCC(NCCc3ccccc3)CC2)cc(N(C)C)n1
InChIInChI=1S/C21H31N5/c1-16-23-20(15-21(24-16)26(2)3)25-19-11-9-18(10-12-19)22-14-13-17-7-5-4-6-8-17/h4-8,15,18-19,22H,9-14H2,1-3H3,(H,23,24,25)
InChIKeyHIMKZTHWMCCWOL-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.41
Rot. Bonds7

About 4-N,4-N,2-trimethyl-6-N-[4-(2-phenylethylamino)cyclohexyl]pyrimidine-4,6-diamine

4-N,4-N,2-trimethyl-6-N-[4-(2-phenylethylamino)cyclohexyl]pyrimidine-4,6-diamine (PubChem CID 91320744) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is 4-N,4-N,2-trimethyl-6-N-[4-(2-phenylethylamino)cyclohexyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N,2-trimethyl-6-N-[4-(2-phenylethylamino)cyclohexyl]pyrimidine-4,6-diamine
PubChem CID91320744
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC Name4-N,4-N,2-trimethyl-6-N-[4-(2-phenylethylamino)cyclohexyl]pyrimidine-4,6-diamine
SMILESCc1nc(NC2CCC(NCCc3ccccc3)CC2)cc(N(C)C)n1
InChIInChI=1S/C21H31N5/c1-16-23-20(15-21(24-16)26(2)3)25-19-11-9-18(10-12-19)22-14-13-17-7-5-4-6-8-17/h4-8,15,18-19,22H,9-14H2,1-3H3,(H,23,24,25)
InChIKeyHIMKZTHWMCCWOL-UHFFFAOYSA-N
XLogP3.41
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N,4-N,2-trimethyl-6-N-[4-(2-phenylethylamino)cyclohexyl]pyrimidine-4,6-diamine with MolForge

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Related Compounds

6-N-[4-[(4-fluorophenyl)methylamino]cyclohexyl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine
CID 141223810
6-N-[4-[2-(4-chlorophenoxy)ethylamino]cyclohexyl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine
CID 141224005
[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid
CID 68977621
4-N,4-N,2-trimethyl-6-N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]cyclohexyl]pyrimidine-4,6-diamine
CID 68979442
6-N-[4-[(3-chloro-4-fluorophenyl)methylamino]cyclohexyl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine
CID 141223868
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 141223813
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]thiophene-2-carboxamide
CID 141223776
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-9,10-dioxoanthracene-2-carboxamide
CID 141223961
1-(3,4-dichlorophenyl)-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]methanesulfonamide
CID 141223943
N-benzyl-6-(cyclopropylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360842
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethoxybenzamide
CID 11574826
2-(1-benzothiophen-3-yl)-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]acetamide
CID 141223779

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,2-trimethyl-6-N-[4-(2-phenylethylamino)cyclohexyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N,2-trimethyl-6-N-[4-(2-phenylethylamino)cyclohexyl]pyrimidine-4,6-diamine (CID 91320744) is 4-N,4-N,2-trimethyl-6-N-[4-(2-phenylethylamino)cyclohexyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N,2-trimethyl-6-N-[4-(2-phenylethylamino)cyclohexyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N,2-trimethyl-6-N-[4-(2-phenylethylamino)cyclohexyl]pyrimidine-4,6-diamine is Cc1nc(NC2CCC(NCCc3ccccc3)CC2)cc(N(C)C)n1.
What is the InChIKey of 4-N,4-N,2-trimethyl-6-N-[4-(2-phenylethylamino)cyclohexyl]pyrimidine-4,6-diamine?
The InChIKey is HIMKZTHWMCCWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5/c1-16-23-20(15-21(24-16)26(2)3)25-19-11-9-18(10-12-19)22-14-13-17-7-5-4-6-8-17/h4-8,15,18-19,22H,9-14H2,1-3H3,(H,23,24,25).
What are the key properties of 4-N,4-N,2-trimethyl-6-N-[4-(2-phenylethylamino)cyclohexyl]pyrimidine-4,6-diamine?
4-N,4-N,2-trimethyl-6-N-[4-(2-phenylethylamino)cyclohexyl]pyrimidine-4,6-diamine has a molecular weight of 353.51 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,2-trimethyl-6-N-[4-(2-phenylethylamino)cyclohexyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 91320744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).