6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

C23H21N5 — CID 112881219

IUPAC6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESc1ccc(CNc2cc(NCc3cccnc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H21N5/c1-3-8-18(9-4-1)16-25-21-14-22(26-17-19-10-7-13-24-15-19)28-23(27-21)20-11-5-2-6-12-20/h1-15H,16-17H2,(H2,25,26,27,28)
InChIKeyUMJMYKVXCLBVAY-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.76
Rot. Bonds7

About 6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112881219) has the molecular formula C23H21N5 and a molecular weight of 367.46 g/mol. Its IUPAC name is 6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112881219
Molecular FormulaC23H21N5
Molecular Weight367.46 g/mol
Exact Mass367.18
IUPAC Name6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESc1ccc(CNc2cc(NCc3cccnc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H21N5/c1-3-8-18(9-4-1)16-25-21-14-22(26-17-19-10-7-13-24-15-19)28-23(27-21)20-11-5-2-6-12-20/h1-15H,16-17H2,(H2,25,26,27,28)
InChIKeyUMJMYKVXCLBVAY-UHFFFAOYSA-N
XLogP4.76
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881246
6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112879729
6-N-[2-(cyclohexen-1-yl)ethyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112880224
4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879191
N-(4-fluorophenyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112854101
N-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112852584
N-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112854090
2-phenyl-N-(pyridin-3-ylmethyl)-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine
CID 4602862
6-N-[(4-methoxyphenyl)methyl]-2-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112881287
4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889409
4-methyl-N-(pyridin-3-ylmethyl)quinolin-2-amine
CID 772620
N-benzyl-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine
CID 796111

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine (CID 112881219) is 6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine is c1ccc(CNc2cc(NCc3cccnc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is UMJMYKVXCLBVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5/c1-3-8-18(9-4-1)16-25-21-14-22(26-17-19-10-7-13-24-15-19)28-23(27-21)20-11-5-2-6-12-20/h1-15H,16-17H2,(H2,25,26,27,28).
What are the key properties of 6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 367.46 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112881219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).