6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine

C15H20N4 — CID 80762323

IUPAC6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C15H20N4/c1-4-9-16-15-17-12(3)10-14(19-15)18-13-7-5-11(2)6-8-13/h5-8,10H,4,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyLMOHDWRUVIKOBZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.66
Rot. Bonds5

About 6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine

6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80762323) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80762323
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C15H20N4/c1-4-9-16-15-17-12(3)10-14(19-15)18-13-7-5-11(2)6-8-13/h5-8,10H,4,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyLMOHDWRUVIKOBZ-UHFFFAOYSA-N
XLogP3.66
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-N-(3-methylbutyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112925268
6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112907048
6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927319
4-N-(4-bromo-3-fluorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80842688
4-N-(4-ethylphenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine
CID 112925498
4-N-(3-iodophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80762837
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 112907073
6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine
CID 112925484
2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl acetate;hydrochloride
CID 24766735
N-[4-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112908412
2-N-(3,4-dimethylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927325
2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide
CID 121075015

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine (CID 80762323) is 6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(Nc2ccc(C)cc2)n1.
What is the InChIKey of 6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is LMOHDWRUVIKOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-4-9-16-15-17-12(3)10-14(19-15)18-13-7-5-11(2)6-8-13/h5-8,10H,4,9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine?
6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80762323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).