6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

C24H23N5 — CID 112881246

IUPAC6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1ccc(CNc2cc(NCc3cccnc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H23N5/c1-18-9-11-19(12-10-18)16-26-22-14-23(27-17-20-6-5-13-25-15-20)29-24(28-22)21-7-3-2-4-8-21/h2-15H,16-17H2,1H3,(H2,26,27,28,29)
InChIKeyILWIWBKPULUKJT-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.07
Rot. Bonds7

About 6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112881246) has the molecular formula C24H23N5 and a molecular weight of 381.48 g/mol. Its IUPAC name is 6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112881246
Molecular FormulaC24H23N5
Molecular Weight381.48 g/mol
Exact Mass381.20
IUPAC Name6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1ccc(CNc2cc(NCc3cccnc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H23N5/c1-18-9-11-19(12-10-18)16-26-22-14-23(27-17-20-6-5-13-25-15-20)29-24(28-22)21-7-3-2-4-8-21/h2-15H,16-17H2,1H3,(H2,26,27,28,29)
InChIKeyILWIWBKPULUKJT-UHFFFAOYSA-N
XLogP5.07
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881219
6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112879729
N-[(4-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 44820593
6-N-[2-(cyclohexen-1-yl)ethyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112880224
6-N-[(4-methoxyphenyl)methyl]-2-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112881287
4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879191
N-tert-butyl-6-[(4-methylphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853999
N-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112852584
2-N-(2,4-dimethylphenyl)-6-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112937247
4-methyl-N-(pyridin-3-ylmethyl)quinolin-2-amine
CID 772620
2-phenyl-N-(pyridin-3-ylmethyl)-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine
CID 4602862
N-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112854090

Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine (CID 112881246) is 6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine is Cc1ccc(CNc2cc(NCc3cccnc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is ILWIWBKPULUKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5/c1-18-9-11-19(12-10-18)16-26-22-14-23(27-17-20-6-5-13-25-15-20)29-24(28-22)21-7-3-2-4-8-21/h2-15H,16-17H2,1H3,(H2,26,27,28,29).
What are the key properties of 6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 381.48 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112881246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).