[3-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]oxetan-3-yl]methanamine

C16H19N3O — CID 116902967

IUPAC[3-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]oxetan-3-yl]methanamine
SMILESCc1ccc(-c2ccnc(C3(CN)COC3)n2)c(C)c1
InChIInChI=1S/C16H19N3O/c1-11-3-4-13(12(2)7-11)14-5-6-18-15(19-14)16(8-17)9-20-10-16/h3-7H,8-10,17H2,1-2H3
InChIKeyYKIHJLZANAOKNY-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.99
Rot. Bonds3

About [3-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]oxetan-3-yl]methanamine

[3-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]oxetan-3-yl]methanamine (PubChem CID 116902967) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is [3-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]oxetan-3-yl]methanamine
PubChem CID116902967
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name[3-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]oxetan-3-yl]methanamine
SMILESCc1ccc(-c2ccnc(C3(CN)COC3)n2)c(C)c1
InChIInChI=1S/C16H19N3O/c1-11-3-4-13(12(2)7-11)14-5-6-18-15(19-14)16(8-17)9-20-10-16/h3-7H,8-10,17H2,1-2H3
InChIKeyYKIHJLZANAOKNY-UHFFFAOYSA-N
XLogP1.99
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902682
[3-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]oxetan-3-yl]methanamine
CID 116902971
[3-(4-cyclobutylpyrimidin-2-yl)oxetan-3-yl]methanamine
CID 116902990
[1-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902677
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
4-(2,4-dimethylphenyl)-2-(trifluoromethyl)pyrimidine
CID 116903677
[1-[4-(2-methoxyphenyl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902697
2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-ol
CID 116902043
2-(2,4-dimethylphenyl)-4-fluoropyridine
CID 102824457
[1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]cyclopropyl]methanamine
CID 116902550

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]oxetan-3-yl]methanamine?
The IUPAC name of [3-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]oxetan-3-yl]methanamine (CID 116902967) is [3-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]oxetan-3-yl]methanamine.
What is the SMILES notation for [3-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]oxetan-3-yl]methanamine?
The canonical SMILES for [3-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]oxetan-3-yl]methanamine is Cc1ccc(-c2ccnc(C3(CN)COC3)n2)c(C)c1.
What is the InChIKey of [3-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]oxetan-3-yl]methanamine?
The InChIKey is YKIHJLZANAOKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-3-4-13(12(2)7-11)14-5-6-18-15(19-14)16(8-17)9-20-10-16/h3-7H,8-10,17H2,1-2H3.
What are the key properties of [3-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]oxetan-3-yl]methanamine?
[3-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]oxetan-3-yl]methanamine has a molecular weight of 269.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]oxetan-3-yl]methanamine is sourced from PubChem (CID 116902967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).