N-[(S)-cyclobutyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine

C17H23N3 — CID 150716162

IUPACN-[(S)-cyclobutyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine
SMILESCCN1C=CC(N[C@H](c2ccccc2)C2CCC2)=NC1
InChIInChI=1S/C17H23N3/c1-2-20-12-11-16(18-13-20)19-17(15-9-6-10-15)14-7-4-3-5-8-14/h3-5,7-8,11-12,15,17H,2,6,9-10,13H2,1H3,(H,18,19)/t17-/m1/s1
InChIKeyJOXPTTZNEQCPMG-QGZVFWFLSA-N
MW269.39 g/mol
LogP3.32
Rot. Bonds4

About N-[(S)-cyclobutyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine

N-[(S)-cyclobutyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine (PubChem CID 150716162) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(S)-cyclobutyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(S)-cyclobutyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine
PubChem CID150716162
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(S)-cyclobutyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine
SMILESCCN1C=CC(N[C@H](c2ccccc2)C2CCC2)=NC1
InChIInChI=1S/C17H23N3/c1-2-20-12-11-16(18-13-20)19-17(15-9-6-10-15)14-7-4-3-5-8-14/h3-5,7-8,11-12,15,17H,2,6,9-10,13H2,1H3,(H,18,19)/t17-/m1/s1
InChIKeyJOXPTTZNEQCPMG-QGZVFWFLSA-N
XLogP3.32
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine
CID 174926050
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
1-cyclopropyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine
CID 174925497
N-[cyclohexyl(phenyl)methyl]-2-fluoroaniline
CID 43094793
2-chloro-N-[cyclohexyl(phenyl)methyl]pyridin-3-amine
CID 43689725
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-ethylsulfanylaniline
CID 63453265
N-[cyclobutyl(phenyl)methyl]-4-methoxypyrimidin-2-amine
CID 133286329
2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 95619544
N-[cyclohexyl(phenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79107738
2-[[cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 56785981
N-[cyclohexyl(phenyl)methyl]-2-methylpyridin-3-amine
CID 79042914
N-[cyclohexyl(phenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 107648731

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclobutyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine?
The IUPAC name of N-[(S)-cyclobutyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine (CID 150716162) is N-[(S)-cyclobutyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine.
What is the SMILES notation for N-[(S)-cyclobutyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine?
The canonical SMILES for N-[(S)-cyclobutyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine is CCN1C=CC(N[C@H](c2ccccc2)C2CCC2)=NC1.
What is the InChIKey of N-[(S)-cyclobutyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine?
The InChIKey is JOXPTTZNEQCPMG-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-20-12-11-16(18-13-20)19-17(15-9-6-10-15)14-7-4-3-5-8-14/h3-5,7-8,11-12,15,17H,2,6,9-10,13H2,1H3,(H,18,19)/t17-/m1/s1.
What are the key properties of N-[(S)-cyclobutyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine?
N-[(S)-cyclobutyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine has a molecular weight of 269.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclobutyl(phenyl)methyl]-1-ethyl-2H-pyrimidin-4-amine is sourced from PubChem (CID 150716162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).