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

C16H19N3O — CID 116902697

IUPAC[1-[4-(2-methoxyphenyl)pyrimidin-2-yl]cyclobutyl]methanamine
SMILESCOc1ccccc1-c1ccnc(C2(CN)CCC2)n1
InChIInChI=1S/C16H19N3O/c1-20-14-6-3-2-5-12(14)13-7-10-18-15(19-13)16(11-17)8-4-9-16/h2-3,5-7,10H,4,8-9,11,17H2,1H3
InChIKeyYTORWIPBUWIKLQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.53
Rot. Bonds4

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

[1-[4-(2-methoxyphenyl)pyrimidin-2-yl]cyclobutyl]methanamine (PubChem CID 116902697) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is [1-[4-(2-methoxyphenyl)pyrimidin-2-yl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[4-(2-methoxyphenyl)pyrimidin-2-yl]cyclobutyl]methanamine
PubChem CID116902697
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name[1-[4-(2-methoxyphenyl)pyrimidin-2-yl]cyclobutyl]methanamine
SMILESCOc1ccccc1-c1ccnc(C2(CN)CCC2)n1
InChIInChI=1S/C16H19N3O/c1-20-14-6-3-2-5-12(14)13-7-10-18-15(19-13)16(11-17)8-4-9-16/h2-3,5-7,10H,4,8-9,11,17H2,1H3
InChIKeyYTORWIPBUWIKLQ-UHFFFAOYSA-N
XLogP2.53
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.53
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
[1-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902677
[1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902686
[1-(2-methoxynaphthalen-1-yl)cyclobutyl]methanamine
CID 117355668
1-[4-(5-ethyl-2-methoxyphenyl)pyrimidin-2-yl]cyclopropan-1-amine
CID 116903552
[3-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]oxetan-3-yl]methanamine
CID 116902967
[1-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]cyclopropyl]methanamine
CID 116902544
[1-(7-methoxyisoquinolin-1-yl)cyclobutyl]methanamine
CID 116995348
4-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrobromide
CID 44614492
1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79846588
[1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902705
[1-(1-methoxyisoquinolin-7-yl)cyclobutyl]methanamine
CID 117358088

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-methoxyphenyl)pyrimidin-2-yl]cyclobutyl]methanamine?
The IUPAC name of [1-[4-(2-methoxyphenyl)pyrimidin-2-yl]cyclobutyl]methanamine (CID 116902697) is [1-[4-(2-methoxyphenyl)pyrimidin-2-yl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[4-(2-methoxyphenyl)pyrimidin-2-yl]cyclobutyl]methanamine?
The canonical SMILES for [1-[4-(2-methoxyphenyl)pyrimidin-2-yl]cyclobutyl]methanamine is COc1ccccc1-c1ccnc(C2(CN)CCC2)n1.
What is the InChIKey of [1-[4-(2-methoxyphenyl)pyrimidin-2-yl]cyclobutyl]methanamine?
The InChIKey is YTORWIPBUWIKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-20-14-6-3-2-5-12(14)13-7-10-18-15(19-13)16(11-17)8-4-9-16/h2-3,5-7,10H,4,8-9,11,17H2,1H3.
What are the key properties of [1-[4-(2-methoxyphenyl)pyrimidin-2-yl]cyclobutyl]methanamine?
[1-[4-(2-methoxyphenyl)pyrimidin-2-yl]cyclobutyl]methanamine has a molecular weight of 269.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2-methoxyphenyl)pyrimidin-2-yl]cyclobutyl]methanamine is sourced from PubChem (CID 116902697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).