1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine

C21H18N6 — CID 108773977

IUPAC1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine
SMILESCc1cc(Nc2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)ncn1
InChIInChI=1S/C21H18N6/c1-15-11-20(24-13-22-15)26-17-7-9-18(10-8-17)27-21-12-19(23-14-25-21)16-5-3-2-4-6-16/h2-14H,1H3,(H,22,24,26)(H,23,25,27)
InChIKeyYBVPNGQJROXZLH-UHFFFAOYSA-N
MW354.42 g/mol
LogP4.73
Rot. Bonds5

About 1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine

1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine (PubChem CID 108773977) has the molecular formula C21H18N6 and a molecular weight of 354.42 g/mol. Its IUPAC name is 1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine
PubChem CID108773977
Molecular FormulaC21H18N6
Molecular Weight354.42 g/mol
Exact Mass354.16
IUPAC Name1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine
SMILESCc1cc(Nc2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)ncn1
InChIInChI=1S/C21H18N6/c1-15-11-20(24-13-22-15)26-17-7-9-18(10-8-17)27-21-12-19(23-14-25-21)16-5-3-2-4-6-16/h2-14H,1H3,(H,22,24,26)(H,23,25,27)
InChIKeyYBVPNGQJROXZLH-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

N-(6-methyl-3-pyridinyl)-6-phenylpyrimidin-4-amine
CID 58119047
N-(4-bromophenyl)-6-phenylpyrimidin-4-amine
CID 16876814
N-(4-phenoxyphenyl)-6-phenylpyrimidin-4-amine
CID 117089637
4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid
CID 1408950
N-(4-methylbenzene-5-id-1-yl)-6-phenylpyrimidin-4-amine;yttrium
CID 148670419
4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid;hydrochloride
CID 16876551
2-bromo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]propanamide
CID 108766928
N-[[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]methyl]methanesulfonamide
CID 67251720
6-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 108772038
N-[2-methyl-5-[[6-(4-phenylphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 25138217
1-[3-(6-anilinopyrimidin-4-yl)phenyl]ethanone
CID 117088334
N-(4-tert-butylphenyl)-6-(3-methylphenyl)pyrimidin-4-amine
CID 11209329

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine?
The IUPAC name of 1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine (CID 108773977) is 1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine?
The canonical SMILES for 1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine is Cc1cc(Nc2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)ncn1.
What is the InChIKey of 1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine?
The InChIKey is YBVPNGQJROXZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6/c1-15-11-20(24-13-22-15)26-17-7-9-18(10-8-17)27-21-12-19(23-14-25-21)16-5-3-2-4-6-16/h2-14H,1H3,(H,22,24,26)(H,23,25,27).
What are the key properties of 1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine?
1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-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-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 108773977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).