[1-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine

C17H21N3 — CID 116902682

IUPAC[1-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine
SMILESCc1ccc(-c2ccnc(C3(CN)CCC3)n2)c(C)c1
InChIInChI=1S/C17H21N3/c1-12-4-5-14(13(2)10-12)15-6-9-19-16(20-15)17(11-18)7-3-8-17/h4-6,9-10H,3,7-8,11,18H2,1-2H3
InChIKeyCNBPUPMHCKXLJV-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.14
Rot. Bonds3

About [1-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine

[1-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine (PubChem CID 116902682) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is [1-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine
PubChem CID116902682
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name[1-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine
SMILESCc1ccc(-c2ccnc(C3(CN)CCC3)n2)c(C)c1
InChIInChI=1S/C17H21N3/c1-12-4-5-14(13(2)10-12)15-6-9-19-16(20-15)17(11-18)7-3-8-17/h4-6,9-10H,3,7-8,11,18H2,1-2H3
InChIKeyCNBPUPMHCKXLJV-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]oxetan-3-yl]methanamine
CID 116902967
[1-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902677
[1-[4-(2-methoxyphenyl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902697
[1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902686
2-bromo-4-(2,4-dimethylphenyl)pyrimidine
CID 116904235
2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-amine
CID 116897645
2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]ethanol
CID 116899554
[1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]cyclopropyl]methanamine
CID 116902550
4-(2,4-dimethylphenyl)-2-(trifluoromethyl)pyrimidine
CID 116903677
[1-(6-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
CID 115445730
2-[1-(aminomethyl)cyclobutyl]-5-methylphenol
CID 82604285
2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-ol
CID 116902043

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine?
The IUPAC name of [1-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine (CID 116902682) is [1-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine?
The canonical SMILES for [1-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine is Cc1ccc(-c2ccnc(C3(CN)CCC3)n2)c(C)c1.
What is the InChIKey of [1-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine?
The InChIKey is CNBPUPMHCKXLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-12-4-5-14(13(2)10-12)15-6-9-19-16(20-15)17(11-18)7-3-8-17/h4-6,9-10H,3,7-8,11,18H2,1-2H3.
What are the key properties of [1-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine?
[1-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine has a molecular weight of 267.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine is sourced from PubChem (CID 116902682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).