6-cyclobutyl-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine

C16H19N3O — CID 171997091

IUPAC6-cyclobutyl-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1cc(C2CCC2)ncn1
InChIInChI=1S/C16H19N3O/c1-20-15-8-3-2-5-13(15)10-17-16-9-14(18-11-19-16)12-6-4-7-12/h2-3,5,8-9,11-12H,4,6-7,10H2,1H3,(H,17,18,19)
InChIKeyRIERFFLBDZUKDP-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.36
Rot. Bonds5

About 6-cyclobutyl-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine

6-cyclobutyl-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 171997091) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 6-cyclobutyl-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclobutyl-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID171997091
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name6-cyclobutyl-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1cc(C2CCC2)ncn1
InChIInChI=1S/C16H19N3O/c1-20-15-8-3-2-5-13(15)10-17-16-9-14(18-11-19-16)12-6-4-7-12/h2-3,5,8-9,11-12H,4,6-7,10H2,1H3,(H,17,18,19)
InChIKeyRIERFFLBDZUKDP-UHFFFAOYSA-N
XLogP3.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine
CID 171705218
6-(3-aminocyclobutyl)-N-[(2,3-dimethoxyphenyl)methyl]pyrimidin-4-amine;dihydrochloride
CID 154901954
N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125177138
6-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855280
6-N-[(2-methoxyphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112860098
4-N-[(2-methoxyphenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860055
N-[(2-methoxyphenyl)methyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66327152
4-N-(2,4-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860142
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3233966
4-N-(2,5-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860141
6-N-[2-(4-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860060
6-cyclobutyl-N-propylpyrimidin-4-amine
CID 126848136

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-cyclobutyl-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (CID 171997091) is 6-cyclobutyl-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclobutyl-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-cyclobutyl-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is COc1ccccc1CNc1cc(C2CCC2)ncn1.
What is the InChIKey of 6-cyclobutyl-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is RIERFFLBDZUKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-20-15-8-3-2-5-13(15)10-17-16-9-14(18-11-19-16)12-6-4-7-12/h2-3,5,8-9,11-12H,4,6-7,10H2,1H3,(H,17,18,19).
What are the key properties of 6-cyclobutyl-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
6-cyclobutyl-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 171997091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).