4-N,4-N-dimethyl-6-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4,6-triamine

C19H21N5 — CID 91194048

IUPAC4-N,4-N-dimethyl-6-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4,6-triamine
SMILESCc1ccccc1Nc1cc(N(C)C)nc(Nc2ccccc2)n1
InChIInChI=1S/C19H21N5/c1-14-9-7-8-12-16(14)21-17-13-18(24(2)3)23-19(22-17)20-15-10-5-4-6-11-15/h4-13H,1-3H3,(H2,20,21,22,23)
InChIKeySYWCOJXIJLTLGB-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.34
Rot. Bonds5

About 4-N,4-N-dimethyl-6-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4,6-triamine

4-N,4-N-dimethyl-6-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4,6-triamine (PubChem CID 91194048) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-6-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4,6-triamine
PubChem CID91194048
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name4-N,4-N-dimethyl-6-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4,6-triamine
SMILESCc1ccccc1Nc1cc(N(C)C)nc(Nc2ccccc2)n1
InChIInChI=1S/C19H21N5/c1-14-9-7-8-12-16(14)21-17-13-18(24(2)3)23-19(22-17)20-15-10-5-4-6-11-15/h4-13H,1-3H3,(H2,20,21,22,23)
InChIKeySYWCOJXIJLTLGB-UHFFFAOYSA-N
XLogP4.34
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,4-N-dimethyl-6-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4,6-triamine
CID 90770232
4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine
CID 142666881
N-[4-[[4-methyl-6-(2-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112927042
6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 67948246
2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 59798777
6-N-[4-(dimethylamino)phenyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112876996
4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112926921
6-methyl-4-N-(2-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112927032
6-(bromomethyl)-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine
CID 67948626
4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112927092
6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112926974
2-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935950

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-6-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N,4-N-dimethyl-6-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4,6-triamine (CID 91194048) is 4-N,4-N-dimethyl-6-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N,4-N-dimethyl-6-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N,4-N-dimethyl-6-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4,6-triamine is Cc1ccccc1Nc1cc(N(C)C)nc(Nc2ccccc2)n1.
What is the InChIKey of 4-N,4-N-dimethyl-6-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4,6-triamine?
The InChIKey is SYWCOJXIJLTLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-14-9-7-8-12-16(14)21-17-13-18(24(2)3)23-19(22-17)20-15-10-5-4-6-11-15/h4-13H,1-3H3,(H2,20,21,22,23).
What are the key properties of 4-N,4-N-dimethyl-6-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4,6-triamine?
4-N,4-N-dimethyl-6-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4,6-triamine has a molecular weight of 319.41 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-6-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 91194048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).