[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine

C17H21N3 — CID 116896049

IUPAC[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine
SMILESCc1cc(-c2ccc(C)c(C)c2)nc(C2(CN)CC2)n1
InChIInChI=1S/C17H21N3/c1-11-4-5-14(8-12(11)2)15-9-13(3)19-16(20-15)17(10-18)6-7-17/h4-5,8-9H,6-7,10,18H2,1-3H3
InChIKeyZSWSBXLDMHSVRE-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.06
Rot. Bonds3

About [1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine

[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine (PubChem CID 116896049) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is [1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine
PubChem CID116896049
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine
SMILESCc1cc(-c2ccc(C)c(C)c2)nc(C2(CN)CC2)n1
InChIInChI=1S/C17H21N3/c1-11-4-5-14(8-12(11)2)15-9-13(3)19-16(20-15)17(10-18)6-7-17/h4-5,8-9H,6-7,10,18H2,1-3H3
InChIKeyZSWSBXLDMHSVRE-UHFFFAOYSA-N
XLogP3.06
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol
CID 116896010
[1-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]cyclobutyl]methanamine
CID 116896148
[1-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902677
[1-[4-(5-bromo-2-methylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine
CID 116896060
4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 62481951
2-amino-1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanol
CID 116895841
[1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol
CID 116896017
2-(2-chloroethyl)-4-(3,4-dimethylphenyl)-6-methylpyrimidine
CID 116893741
2-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]propan-2-ol
CID 116895699
[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225
1-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine
CID 116896700
[3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)oxetan-3-yl]methanol
CID 116896303

Frequently Asked Questions

What is the IUPAC name of [1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine (CID 116896049) is [1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine is Cc1cc(-c2ccc(C)c(C)c2)nc(C2(CN)CC2)n1.
What is the InChIKey of [1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine?
The InChIKey is ZSWSBXLDMHSVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-11-4-5-14(8-12(11)2)15-9-13(3)19-16(20-15)17(10-18)6-7-17/h4-5,8-9H,6-7,10,18H2,1-3H3.
What are the key properties of [1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine?
[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine has a molecular weight of 267.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine is sourced from PubChem (CID 116896049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).