2-[(3,5-dimethylphenyl)methyl]-6-ethyl-N-propylpyrimidin-4-amine

C18H25N3 — CID 63484694

IUPAC2-[(3,5-dimethylphenyl)methyl]-6-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(CC)nc(Cc2cc(C)cc(C)c2)n1
InChIInChI=1S/C18H25N3/c1-5-7-19-17-12-16(6-2)20-18(21-17)11-15-9-13(3)8-14(4)10-15/h8-10,12H,5-7,11H2,1-4H3,(H,19,20,21)
InChIKeyZTUNZJRFZZMTLE-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.07
Rot. Bonds6

About 2-[(3,5-dimethylphenyl)methyl]-6-ethyl-N-propylpyrimidin-4-amine

2-[(3,5-dimethylphenyl)methyl]-6-ethyl-N-propylpyrimidin-4-amine (PubChem CID 63484694) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methyl]-6-ethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methyl]-6-ethyl-N-propylpyrimidin-4-amine
PubChem CID63484694
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-[(3,5-dimethylphenyl)methyl]-6-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(CC)nc(Cc2cc(C)cc(C)c2)n1
InChIInChI=1S/C18H25N3/c1-5-7-19-17-12-16(6-2)20-18(21-17)11-15-9-13(3)8-14(4)10-15/h8-10,12H,5-7,11H2,1-4H3,(H,19,20,21)
InChIKeyZTUNZJRFZZMTLE-UHFFFAOYSA-N
XLogP4.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3,5-dimethylphenyl)methyl]-6-ethyl-N-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methylphenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63485762
[2-[(3,5-dimethylphenyl)methyl]-6-propylpyrimidin-4-yl]hydrazine
CID 62594083
2-butyl-6-ethyl-N-propylpyrimidin-4-amine
CID 79413331
2-[(4-methylphenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485245
6-ethyl-2-(methylsulfonylmethyl)-N-propylpyrimidin-4-amine
CID 62474013
4-[(tert-butylamino)methyl]-6-ethyl-N-propylpyridin-2-amine
CID 113381462
2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 62320410
6-(methoxymethyl)-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 62552293
2-[(4-bromophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 55135198
2-[(3-chlorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63486808
2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485421
2-ethyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80935431

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-6-ethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-6-ethyl-N-propylpyrimidin-4-amine (CID 63484694) is 2-[(3,5-dimethylphenyl)methyl]-6-ethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methyl]-6-ethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methyl]-6-ethyl-N-propylpyrimidin-4-amine is CCCNc1cc(CC)nc(Cc2cc(C)cc(C)c2)n1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methyl]-6-ethyl-N-propylpyrimidin-4-amine?
The InChIKey is ZTUNZJRFZZMTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-5-7-19-17-12-16(6-2)20-18(21-17)11-15-9-13(3)8-14(4)10-15/h8-10,12H,5-7,11H2,1-4H3,(H,19,20,21).
What are the key properties of 2-[(3,5-dimethylphenyl)methyl]-6-ethyl-N-propylpyrimidin-4-amine?
2-[(3,5-dimethylphenyl)methyl]-6-ethyl-N-propylpyrimidin-4-amine has a molecular weight of 283.42 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methyl]-6-ethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 63484694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).