1-[2-[6-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpyrimidin-4-yl]azetidin-1-yl]ethanone

C18H23N5O — CID 110271804

IUPAC1-[2-[6-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpyrimidin-4-yl]azetidin-1-yl]ethanone
SMILESCCN(Cc1ccncc1)c1cc(C2CCN2C(C)=O)nc(C)n1
InChIInChI=1S/C18H23N5O/c1-4-22(12-15-5-8-19-9-6-15)18-11-16(20-13(2)21-18)17-7-10-23(17)14(3)24/h5-6,8-9,11,17H,4,7,10,12H2,1-3H3
InChIKeyMDWXLZAHZDYAHR-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.50
Rot. Bonds5

About 1-[2-[6-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpyrimidin-4-yl]azetidin-1-yl]ethanone

1-[2-[6-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpyrimidin-4-yl]azetidin-1-yl]ethanone (PubChem CID 110271804) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[2-[6-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpyrimidin-4-yl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[6-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpyrimidin-4-yl]azetidin-1-yl]ethanone
PubChem CID110271804
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-[2-[6-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpyrimidin-4-yl]azetidin-1-yl]ethanone
SMILESCCN(Cc1ccncc1)c1cc(C2CCN2C(C)=O)nc(C)n1
InChIInChI=1S/C18H23N5O/c1-4-22(12-15-5-8-19-9-6-15)18-11-16(20-13(2)21-18)17-7-10-23(17)14(3)24/h5-6,8-9,11,17H,4,7,10,12H2,1-3H3
InChIKeyMDWXLZAHZDYAHR-UHFFFAOYSA-N
XLogP2.50
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-[6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]azetidin-1-yl]ethanone
CID 95847449
2-[ethyl(pyridin-4-ylmethyl)amino]-5-methylbenzoic acid
CID 62515879
1-[2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)azetidin-1-yl]ethanone
CID 110271802
3-[[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]-(pyridin-4-ylmethyl)amino]propan-1-ol
CID 118794411
1-[(2R)-2-[2-methyl-6-[(1-methylimidazol-2-yl)methylamino]pyrimidin-4-yl]azetidin-1-yl]ethanone
CID 95846739
N-[(4-fluorophenyl)methyl]-2-methyl-6-[(3S)-oxolan-3-yl]-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 126439203
N-[(4-fluorophenyl)methyl]-2-methyl-6-(oxolan-3-yl)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 119067183
1-acetyl-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 146086260
1-[2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110101313
1-[(2R)-2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 124970677
1-[(2S,3S)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 155875837
1-[2-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110101187

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpyrimidin-4-yl]azetidin-1-yl]ethanone?
The IUPAC name of 1-[2-[6-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpyrimidin-4-yl]azetidin-1-yl]ethanone (CID 110271804) is 1-[2-[6-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpyrimidin-4-yl]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[6-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpyrimidin-4-yl]azetidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[6-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpyrimidin-4-yl]azetidin-1-yl]ethanone is CCN(Cc1ccncc1)c1cc(C2CCN2C(C)=O)nc(C)n1.
What is the InChIKey of 1-[2-[6-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpyrimidin-4-yl]azetidin-1-yl]ethanone?
The InChIKey is MDWXLZAHZDYAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-4-22(12-15-5-8-19-9-6-15)18-11-16(20-13(2)21-18)17-7-10-23(17)14(3)24/h5-6,8-9,11,17H,4,7,10,12H2,1-3H3.
What are the key properties of 1-[2-[6-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpyrimidin-4-yl]azetidin-1-yl]ethanone?
1-[2-[6-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpyrimidin-4-yl]azetidin-1-yl]ethanone has a molecular weight of 325.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpyrimidin-4-yl]azetidin-1-yl]ethanone is sourced from PubChem (CID 110271804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).