4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4,6-diamine

C47H56F3N13 — CID 160831465

IUPAC4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(N(C)C)nc(N3CCN(c4ccccc4C)CC3)n2)cc1.Cc1ccc(Nc2cc(N(C)C)nc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)cc1
InChIInChI=1S/C24H30N6.C23H26F3N7/c1-18-9-11-20(12-10-18)25-22-17-23(28(3)4)27-24(26-22)30-15-13-29(14-16-30)21-8-6-5-7-19(21)2;1-16-6-8-17(9-7-16)28-19-15-20(31(2)3)30-22(29-19)33-13-11-32(12-14-33)21-18(23(24,25)26)5-4-10-27-21/h5-12,17H,13-16H2,1-4H3,(H,25,26,27);4-10,15H,11-14H2,1-3H3,(H,28,29,30)
InChIKeySGVVABWMICGPHV-UHFFFAOYSA-N
MW860.05 g/mol
LogP8.56
Rot. Bonds10

About 4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4,6-diamine

4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4,6-diamine (PubChem CID 160831465) has the molecular formula C47H56F3N13 and a molecular weight of 860.05 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4,6-diamine
PubChem CID160831465
Molecular FormulaC47H56F3N13
Molecular Weight860.05 g/mol
Exact Mass859.47
IUPAC Name4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(N(C)C)nc(N3CCN(c4ccccc4C)CC3)n2)cc1.Cc1ccc(Nc2cc(N(C)C)nc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)cc1
InChIInChI=1S/C24H30N6.C23H26F3N7/c1-18-9-11-20(12-10-18)25-22-17-23(28(3)4)27-24(26-22)30-15-13-29(14-16-30)21-8-6-5-7-19(21)2;1-16-6-8-17(9-7-16)28-19-15-20(31(2)3)30-22(29-19)33-13-11-32(12-14-33)21-18(23(24,25)26)5-4-10-27-21/h5-12,17H,13-16H2,1-4H3,(H,25,26,27);4-10,15H,11-14H2,1-3H3,(H,28,29,30)
InChIKeySGVVABWMICGPHV-UHFFFAOYSA-N
XLogP8.56
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500860.05
LogP ≤ 58.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-N-(3,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 20825593
N-(4-methylphenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine
CID 11562398
4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-(4-phenylpiperidin-1-yl)pyrimidine-4,6-diamine
CID 68560252
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112923592
4-N,4-N-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-6-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 58863822
2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112923552
2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133274040
2-(4-benzylpiperazin-1-yl)-6-N-(4-fluorophenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 58863852
2-chloro-4-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazine
CID 89165589
2-(4-benzylpiperazin-1-yl)-6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 10203425
6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4,6-diamine
CID 10366817
1-methyl-3-(4-phenylphenyl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea
CID 20782286

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4,6-diamine (CID 160831465) is 4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4,6-diamine is Cc1ccc(Nc2cc(N(C)C)nc(N3CCN(c4ccccc4C)CC3)n2)cc1.Cc1ccc(Nc2cc(N(C)C)nc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)cc1.
What is the InChIKey of 4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4,6-diamine?
The InChIKey is SGVVABWMICGPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6.C23H26F3N7/c1-18-9-11-20(12-10-18)25-22-17-23(28(3)4)27-24(26-22)30-15-13-29(14-16-30)21-8-6-5-7-19(21)2;1-16-6-8-17(9-7-16)28-19-15-20(31(2)3)30-22(29-19)33-13-11-32(12-14-33)21-18(23(24,25)26)5-4-10-27-21/h5-12,17H,13-16H2,1-4H3,(H,25,26,27);4-10,15H,11-14H2,1-3H3,(H,28,29,30).
What are the key properties of 4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4,6-diamine?
4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4,6-diamine has a molecular weight of 860.05 g/mol, XLogP of 8.56, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 160831465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).