2-N-(3,5-dimethylphenyl)-4-N-propylpyrimidine-2,4-diamine

C15H20N4 — CID 112881826

IUPAC2-N-(3,5-dimethylphenyl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ccnc(Nc2cc(C)cc(C)c2)n1
InChIInChI=1S/C15H20N4/c1-4-6-16-14-5-7-17-15(19-14)18-13-9-11(2)8-12(3)10-13/h5,7-10H,4,6H2,1-3H3,(H2,16,17,18,19)
InChIKeyQKQGDRBOZINBDG-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.66
Rot. Bonds5

About 2-N-(3,5-dimethylphenyl)-4-N-propylpyrimidine-2,4-diamine

2-N-(3,5-dimethylphenyl)-4-N-propylpyrimidine-2,4-diamine (PubChem CID 112881826) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-N-(3,5-dimethylphenyl)-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimethylphenyl)-4-N-propylpyrimidine-2,4-diamine
PubChem CID112881826
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-N-(3,5-dimethylphenyl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ccnc(Nc2cc(C)cc(C)c2)n1
InChIInChI=1S/C15H20N4/c1-4-6-16-14-5-7-17-15(19-14)18-13-9-11(2)8-12(3)10-13/h5,7-10H,4,6H2,1-3H3,(H2,16,17,18,19)
InChIKeyQKQGDRBOZINBDG-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

2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881854
2-N-(3-chloro-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881848
4-N-(3-bromo-5-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 107580994
2-N-(3,4-dichlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881906
2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881843
2-N-(3-bromo-4-methylphenyl)-4-N-butylpyrimidine-2,4-diamine
CID 112882918
2-N-(4-bromo-3-methylphenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112900416
4-N-(3-methylbutyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112900149
2-N-(4-piperidin-1-ylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881881
N-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 62201721
2-N-(2-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881842
4-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 91504160

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimethylphenyl)-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,5-dimethylphenyl)-4-N-propylpyrimidine-2,4-diamine (CID 112881826) is 2-N-(3,5-dimethylphenyl)-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,5-dimethylphenyl)-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,5-dimethylphenyl)-4-N-propylpyrimidine-2,4-diamine is CCCNc1ccnc(Nc2cc(C)cc(C)c2)n1.
What is the InChIKey of 2-N-(3,5-dimethylphenyl)-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is QKQGDRBOZINBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-4-6-16-14-5-7-17-15(19-14)18-13-9-11(2)8-12(3)10-13/h5,7-10H,4,6H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-N-(3,5-dimethylphenyl)-4-N-propylpyrimidine-2,4-diamine?
2-N-(3,5-dimethylphenyl)-4-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 2-N-(3,5-dimethylphenyl)-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 112881826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).