N-[cyclobutyl(phenyl)methyl]-4-methoxypyrimidin-2-amine

C16H19N3O — CID 133286329

IUPACN-[cyclobutyl(phenyl)methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NC(c2ccccc2)C2CCC2)n1
InChIInChI=1S/C16H19N3O/c1-20-14-10-11-17-16(18-14)19-15(13-8-5-9-13)12-6-3-2-4-7-12/h2-4,6-7,10-11,13,15H,5,8-9H2,1H3,(H,17,18,19)
InChIKeyVKQWCMULWLQBPQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.44
Rot. Bonds5

About N-[cyclobutyl(phenyl)methyl]-4-methoxypyrimidin-2-amine

N-[cyclobutyl(phenyl)methyl]-4-methoxypyrimidin-2-amine (PubChem CID 133286329) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[cyclobutyl(phenyl)methyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[cyclobutyl(phenyl)methyl]-4-methoxypyrimidin-2-amine
PubChem CID133286329
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[cyclobutyl(phenyl)methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NC(c2ccccc2)C2CCC2)n1
InChIInChI=1S/C16H19N3O/c1-20-14-10-11-17-16(18-14)19-15(13-8-5-9-13)12-6-3-2-4-7-12/h2-4,6-7,10-11,13,15H,5,8-9H2,1H3,(H,17,18,19)
InChIKeyVKQWCMULWLQBPQ-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[cyclobutyl(phenyl)methyl]-4-methoxypyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol
CID 112689970
N-(4-methoxypyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 112695271
4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 26436569
N-(cyclopentylmethyl)-4-methoxypyrimidin-2-amine
CID 112684482
1-N-(4-methoxypyrimidin-2-yl)cyclopentane-1,2-diamine
CID 63252268
N'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine
CID 80507401
1-cyclopropyl-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylmethanamine
CID 61311987
N-[cyclohexyl(phenyl)methyl]-2-methylpyridin-3-amine
CID 79042914
4-methoxy-N-[(1S)-1-naphthalen-1-ylethyl]pyrimidin-2-amine
CID 26006023
2-chloro-N-[cyclohexyl(phenyl)methyl]pyridin-3-amine
CID 43689725
N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-4-methoxypyrimidin-2-amine
CID 133415900
4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine
CID 124595523

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl(phenyl)methyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[cyclobutyl(phenyl)methyl]-4-methoxypyrimidin-2-amine (CID 133286329) is N-[cyclobutyl(phenyl)methyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[cyclobutyl(phenyl)methyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[cyclobutyl(phenyl)methyl]-4-methoxypyrimidin-2-amine is COc1ccnc(NC(c2ccccc2)C2CCC2)n1.
What is the InChIKey of N-[cyclobutyl(phenyl)methyl]-4-methoxypyrimidin-2-amine?
The InChIKey is VKQWCMULWLQBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-20-14-10-11-17-16(18-14)19-15(13-8-5-9-13)12-6-3-2-4-7-12/h2-4,6-7,10-11,13,15H,5,8-9H2,1H3,(H,17,18,19).
What are the key properties of N-[cyclobutyl(phenyl)methyl]-4-methoxypyrimidin-2-amine?
N-[cyclobutyl(phenyl)methyl]-4-methoxypyrimidin-2-amine has a molecular weight of 269.35 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl(phenyl)methyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 133286329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).