4-N-methyl-4-N-phenyl-2-propylpyrimidine-4,6-diamine

C14H18N4 — CID 80946499

IUPAC4-N-methyl-4-N-phenyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(N(C)c2ccccc2)n1
InChIInChI=1S/C14H18N4/c1-3-7-13-16-12(15)10-14(17-13)18(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3,(H2,15,16,17)
InChIKeyJTUYCFMIYHJXKC-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.78
Rot. Bonds4

About 4-N-methyl-4-N-phenyl-2-propylpyrimidine-4,6-diamine

4-N-methyl-4-N-phenyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80946499) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-N-methyl-4-N-phenyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-phenyl-2-propylpyrimidine-4,6-diamine
PubChem CID80946499
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-N-methyl-4-N-phenyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(N(C)c2ccccc2)n1
InChIInChI=1S/C14H18N4/c1-3-7-13-16-12(15)10-14(17-13)18(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3,(H2,15,16,17)
InChIKeyJTUYCFMIYHJXKC-UHFFFAOYSA-N
XLogP2.78
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954620
4-N-(2,4-dimethylphenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954477
2-ethyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 80934677
2-propylpyrimidine-4,6-diamine
CID 67304918
4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80943728
4-N-methyl-4-N-(2-methylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80954780
4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80955011
4-N-ethyl-4-N-(4-fluorophenyl)-2-propylpyrimidine-4,6-diamine
CID 80954692
2-[(6-amino-2-propylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557134
4-N-methyl-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80945206
2-[(6-amino-2-propylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80955354
4-N-[(3-fluorophenyl)methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945613

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-phenyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-phenyl-2-propylpyrimidine-4,6-diamine (CID 80946499) is 4-N-methyl-4-N-phenyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-phenyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-phenyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)cc(N(C)c2ccccc2)n1.
What is the InChIKey of 4-N-methyl-4-N-phenyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is JTUYCFMIYHJXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-3-7-13-16-12(15)10-14(17-13)18(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-N-methyl-4-N-phenyl-2-propylpyrimidine-4,6-diamine?
4-N-methyl-4-N-phenyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-phenyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80946499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).