6-N-methyl-4-N-(3-methylphenyl)-2-propylpyrimidine-4,6-diamine

C15H20N4 — CID 80945398

IUPAC6-N-methyl-4-N-(3-methylphenyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(Nc2cccc(C)c2)n1
InChIInChI=1S/C15H20N4/c1-4-6-13-18-14(16-3)10-15(19-13)17-12-8-5-7-11(2)9-12/h5,7-10H,4,6H2,1-3H3,(H2,16,17,18,19)
InChIKeyRFBQGMLELJKUKH-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.52
Rot. Bonds5

About 6-N-methyl-4-N-(3-methylphenyl)-2-propylpyrimidine-4,6-diamine

6-N-methyl-4-N-(3-methylphenyl)-2-propylpyrimidine-4,6-diamine (PubChem CID 80945398) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-N-methyl-4-N-(3-methylphenyl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(3-methylphenyl)-2-propylpyrimidine-4,6-diamine
PubChem CID80945398
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name6-N-methyl-4-N-(3-methylphenyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(Nc2cccc(C)c2)n1
InChIInChI=1S/C15H20N4/c1-4-6-13-18-14(16-3)10-15(19-13)17-12-8-5-7-11(2)9-12/h5,7-10H,4,6H2,1-3H3,(H2,16,17,18,19)
InChIKeyRFBQGMLELJKUKH-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-bromo-5-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 82758688
4-N-(3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80945010
4-N-(2,3-dichlorophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945819
N-(3-ethylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947085
6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine
CID 80938749
4-N-(3-chlorophenyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80938555
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
6-N-methyl-2-N-(3-methylphenyl)pyrazine-2,6-diamine
CID 80755462
2-ethyl-6-N-methyl-4-N-(3-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80933742
2-methyl-4-N-(3-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876864
6-hydrazinyl-N-(3-methoxyphenyl)-2-propylpyrimidin-4-amine
CID 80947184
4-N-(3-bromo-4-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80943742

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(3-methylphenyl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(3-methylphenyl)-2-propylpyrimidine-4,6-diamine (CID 80945398) is 6-N-methyl-4-N-(3-methylphenyl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(3-methylphenyl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(3-methylphenyl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(NC)cc(Nc2cccc(C)c2)n1.
What is the InChIKey of 6-N-methyl-4-N-(3-methylphenyl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is RFBQGMLELJKUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-4-6-13-18-14(16-3)10-15(19-13)17-12-8-5-7-11(2)9-12/h5,7-10H,4,6H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-N-methyl-4-N-(3-methylphenyl)-2-propylpyrimidine-4,6-diamine?
6-N-methyl-4-N-(3-methylphenyl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(3-methylphenyl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80945398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).