1-N-(2-methyl-6-phenylpyrimidin-4-yl)-3-N-pyrimidin-2-ylbenzene-1,3-diamine

C21H18N6 — CID 108775245

IUPAC1-N-(2-methyl-6-phenylpyrimidin-4-yl)-3-N-pyrimidin-2-ylbenzene-1,3-diamine
SMILESCc1nc(Nc2cccc(Nc3ncccn3)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C21H18N6/c1-15-24-19(16-7-3-2-4-8-16)14-20(25-15)26-17-9-5-10-18(13-17)27-21-22-11-6-12-23-21/h2-14H,1H3,(H,22,23,27)(H,24,25,26)
InChIKeyXVQUYBDHDCRABF-UHFFFAOYSA-N
MW354.42 g/mol
LogP4.73
Rot. Bonds5

About 1-N-(2-methyl-6-phenylpyrimidin-4-yl)-3-N-pyrimidin-2-ylbenzene-1,3-diamine

1-N-(2-methyl-6-phenylpyrimidin-4-yl)-3-N-pyrimidin-2-ylbenzene-1,3-diamine (PubChem CID 108775245) has the molecular formula C21H18N6 and a molecular weight of 354.42 g/mol. Its IUPAC name is 1-N-(2-methyl-6-phenylpyrimidin-4-yl)-3-N-pyrimidin-2-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-methyl-6-phenylpyrimidin-4-yl)-3-N-pyrimidin-2-ylbenzene-1,3-diamine
PubChem CID108775245
Molecular FormulaC21H18N6
Molecular Weight354.42 g/mol
Exact Mass354.16
IUPAC Name1-N-(2-methyl-6-phenylpyrimidin-4-yl)-3-N-pyrimidin-2-ylbenzene-1,3-diamine
SMILESCc1nc(Nc2cccc(Nc3ncccn3)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C21H18N6/c1-15-24-19(16-7-3-2-4-8-16)14-20(25-15)26-17-9-5-10-18(13-17)27-21-22-11-6-12-23-21/h2-14H,1H3,(H,22,23,27)(H,24,25,26)
InChIKeyXVQUYBDHDCRABF-UHFFFAOYSA-N
XLogP4.73
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797307
3-N-(3-chloroquinoxalin-2-yl)-1-N-(2-methyl-6-phenylpyrimidin-4-yl)benzene-1,3-diamine
CID 108775255
4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenol
CID 16876818
4-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]-5-nitropyrimidine-4,6-diamine
CID 108775228
1-N-(2-methyl-6-phenylpyrimidin-4-yl)-3-N-(7H-purin-6-yl)benzene-1,3-diamine
CID 108775233
[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] propanoate
CID 9149585
3-bromo-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]propanamide
CID 108736842
N-(3-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808442
N-(4-tert-butylphenyl)-2-methyl-6-phenylpyrimidin-4-amine
CID 9151407
3-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]benzoic acid
CID 56767987
2-cyano-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]acetamide
CID 108759716
2-methyl-N-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
CID 3590842

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methyl-6-phenylpyrimidin-4-yl)-3-N-pyrimidin-2-ylbenzene-1,3-diamine?
The IUPAC name of 1-N-(2-methyl-6-phenylpyrimidin-4-yl)-3-N-pyrimidin-2-ylbenzene-1,3-diamine (CID 108775245) is 1-N-(2-methyl-6-phenylpyrimidin-4-yl)-3-N-pyrimidin-2-ylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(2-methyl-6-phenylpyrimidin-4-yl)-3-N-pyrimidin-2-ylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(2-methyl-6-phenylpyrimidin-4-yl)-3-N-pyrimidin-2-ylbenzene-1,3-diamine is Cc1nc(Nc2cccc(Nc3ncccn3)c2)cc(-c2ccccc2)n1.
What is the InChIKey of 1-N-(2-methyl-6-phenylpyrimidin-4-yl)-3-N-pyrimidin-2-ylbenzene-1,3-diamine?
The InChIKey is XVQUYBDHDCRABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6/c1-15-24-19(16-7-3-2-4-8-16)14-20(25-15)26-17-9-5-10-18(13-17)27-21-22-11-6-12-23-21/h2-14H,1H3,(H,22,23,27)(H,24,25,26).
What are the key properties of 1-N-(2-methyl-6-phenylpyrimidin-4-yl)-3-N-pyrimidin-2-ylbenzene-1,3-diamine?
1-N-(2-methyl-6-phenylpyrimidin-4-yl)-3-N-pyrimidin-2-ylbenzene-1,3-diamine has a molecular weight of 354.42 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methyl-6-phenylpyrimidin-4-yl)-3-N-pyrimidin-2-ylbenzene-1,3-diamine is sourced from PubChem (CID 108775245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).