6-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine

C17H21N3 — CID 63354210

IUPAC6-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(Cc2ccc(C)c(C)c2)n1
InChIInChI=1S/C17H21N3/c1-11-4-5-13(8-12(11)2)9-17-19-15(14-6-7-14)10-16(18-3)20-17/h4-5,8,10,14H,6-7,9H2,1-3H3,(H,18,19,20)
InChIKeyKFYBOAXAIQSELY-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.60
Rot. Bonds4

About 6-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine

6-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine (PubChem CID 63354210) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 6-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine
PubChem CID63354210
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name6-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(Cc2ccc(C)c(C)c2)n1
InChIInChI=1S/C17H21N3/c1-11-4-5-13(8-12(11)2)9-17-19-15(14-6-7-14)10-16(18-3)20-17/h4-5,8,10,14H,6-7,9H2,1-3H3,(H,18,19,20)
InChIKeyKFYBOAXAIQSELY-UHFFFAOYSA-N
XLogP3.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methyl]-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 63353708
6-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 63354385
4-cyclopropyl-6-[(3,4-dimethylphenyl)methyl]-1,3,5-triazin-2-amine
CID 63867150
6-cyclopropyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine
CID 63354387
6-cyclopropyl-2-[2-(dimethylamino)ethyl]-N-methylpyrimidin-4-amine
CID 115347022
[2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-yl]hydrazine
CID 55189625
(2-benzyl-6-cyclopropylpyrimidin-4-yl)hydrazine
CID 63354322
6-cyclopropyl-N-methyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 63354065
2-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 63639303
[2-[(3,4-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 62904026
6-cyclopropyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 63354058
[2-[(3,4-dimethylphenyl)methyl]-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 55131052

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine (CID 63354210) is 6-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine is CNc1cc(C2CC2)nc(Cc2ccc(C)c(C)c2)n1.
What is the InChIKey of 6-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine?
The InChIKey is KFYBOAXAIQSELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-11-4-5-13(8-12(11)2)9-17-19-15(14-6-7-14)10-16(18-3)20-17/h4-5,8,10,14H,6-7,9H2,1-3H3,(H,18,19,20).
What are the key properties of 6-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine?
6-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine has a molecular weight of 267.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 63354210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).