4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine

C19H25N3 — CID 157119078

IUPAC4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine
SMILESCc1cccc(-c2cc(CC3CCCCC3)nc(N)n2)c1C
InChIInChI=1S/C19H25N3/c1-13-7-6-10-17(14(13)2)18-12-16(21-19(20)22-18)11-15-8-4-3-5-9-15/h6-7,10,12,15H,3-5,8-9,11H2,1-2H3,(H2,20,21,22)
InChIKeyHGGNTFKTWAHYBH-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.47
Rot. Bonds3

About 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine

4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine (PubChem CID 157119078) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine
PubChem CID157119078
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine
SMILESCc1cccc(-c2cc(CC3CCCCC3)nc(N)n2)c1C
InChIInChI=1S/C19H25N3/c1-13-7-6-10-17(14(13)2)18-12-16(21-19(20)22-18)11-15-8-4-3-5-9-15/h6-7,10,12,15H,3-5,8-9,11H2,1-2H3,(H2,20,21,22)
InChIKeyHGGNTFKTWAHYBH-UHFFFAOYSA-N
XLogP4.47
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-methylphenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine
CID 158483873
4-(5-chloro-2-methylphenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine
CID 158483870
4-(3-chloro-2-methylphenyl)-6-[(2-methylcyclopropyl)methyl]pyrimidin-2-amine
CID 158930614
4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidin-2-amine
CID 158535242
4-(2,3-dimethylphenyl)-6-[3-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]pyrimidin-2-amine
CID 158415498
4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine
CID 158538764
6-(2,3-dimethylphenyl)-4-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 90189443
4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide
CID 157050203
4-N-(2-amino-2-methylpropyl)-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine
CID 90189616
4-N-(2-aminopropyl)-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine
CID 142772228
4,6-bis(2,3-dimethylphenyl)-1,3,5-triazin-2-amine
CID 155659770
[6-(cyclohexylmethyl)-2-methylpyrimidin-4-yl]methanamine
CID 121206759

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine (CID 157119078) is 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine is Cc1cccc(-c2cc(CC3CCCCC3)nc(N)n2)c1C.
What is the InChIKey of 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine?
The InChIKey is HGGNTFKTWAHYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-13-7-6-10-17(14(13)2)18-12-16(21-19(20)22-18)11-15-8-4-3-5-9-15/h6-7,10,12,15H,3-5,8-9,11H2,1-2H3,(H2,20,21,22).
What are the key properties of 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine?
4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine has a molecular weight of 295.43 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 157119078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).