1-[(2R)-2-[2-methyl-6-[(1-methylimidazol-2-yl)methylamino]pyrimidin-4-yl]azetidin-1-yl]ethanone

C15H20N6O — CID 95846739

IUPAC1-[(2R)-2-[2-methyl-6-[(1-methylimidazol-2-yl)methylamino]pyrimidin-4-yl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H]1c1cc(NCc2nccn2C)nc(C)n1
InChIInChI=1S/C15H20N6O/c1-10-18-12(13-4-6-21(13)11(2)22)8-14(19-10)17-9-15-16-5-7-20(15)3/h5,7-8,13H,4,6,9H2,1-3H3,(H,17,18,19)/t13-/m1/s1
InChIKeyKMAPGPSCBADAPM-CYBMUJFWSA-N
MW300.37 g/mol
LogP1.42
Rot. Bonds4

About 1-[(2R)-2-[2-methyl-6-[(1-methylimidazol-2-yl)methylamino]pyrimidin-4-yl]azetidin-1-yl]ethanone

1-[(2R)-2-[2-methyl-6-[(1-methylimidazol-2-yl)methylamino]pyrimidin-4-yl]azetidin-1-yl]ethanone (PubChem CID 95846739) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-[(2R)-2-[2-methyl-6-[(1-methylimidazol-2-yl)methylamino]pyrimidin-4-yl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[2-methyl-6-[(1-methylimidazol-2-yl)methylamino]pyrimidin-4-yl]azetidin-1-yl]ethanone
PubChem CID95846739
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name1-[(2R)-2-[2-methyl-6-[(1-methylimidazol-2-yl)methylamino]pyrimidin-4-yl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H]1c1cc(NCc2nccn2C)nc(C)n1
InChIInChI=1S/C15H20N6O/c1-10-18-12(13-4-6-21(13)11(2)22)8-14(19-10)17-9-15-16-5-7-20(15)3/h5,7-8,13H,4,6,9H2,1-3H3,(H,17,18,19)/t13-/m1/s1
InChIKeyKMAPGPSCBADAPM-CYBMUJFWSA-N
XLogP1.42
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-2-[6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]azetidin-1-yl]ethanone
CID 95847449
1-[2-[3-[(1-methylimidazol-2-yl)methylamino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110257549
1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820412
1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]propan-1-one
CID 95844576
N-[(1-methylimidazol-2-yl)methyl]-5-(1-methylpiperidin-4-yl)pyrazin-2-amine
CID 95825616
1-[2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)azetidin-1-yl]ethanone
CID 110271802
1-[2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110255590
2-chloro-6-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 63294630
2-methyl-6-[1-[(1-methylimidazol-2-yl)methyl]piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 110095461
1-[2-[6-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpyrimidin-4-yl]azetidin-1-yl]ethanone
CID 110271804
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
1-[(2S)-2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-yl]azetidin-1-yl]ethanone
CID 95847455

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[2-methyl-6-[(1-methylimidazol-2-yl)methylamino]pyrimidin-4-yl]azetidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[2-methyl-6-[(1-methylimidazol-2-yl)methylamino]pyrimidin-4-yl]azetidin-1-yl]ethanone (CID 95846739) is 1-[(2R)-2-[2-methyl-6-[(1-methylimidazol-2-yl)methylamino]pyrimidin-4-yl]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[2-methyl-6-[(1-methylimidazol-2-yl)methylamino]pyrimidin-4-yl]azetidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[2-methyl-6-[(1-methylimidazol-2-yl)methylamino]pyrimidin-4-yl]azetidin-1-yl]ethanone is CC(=O)N1CC[C@@H]1c1cc(NCc2nccn2C)nc(C)n1.
What is the InChIKey of 1-[(2R)-2-[2-methyl-6-[(1-methylimidazol-2-yl)methylamino]pyrimidin-4-yl]azetidin-1-yl]ethanone?
The InChIKey is KMAPGPSCBADAPM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N6O/c1-10-18-12(13-4-6-21(13)11(2)22)8-14(19-10)17-9-15-16-5-7-20(15)3/h5,7-8,13H,4,6,9H2,1-3H3,(H,17,18,19)/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-[2-methyl-6-[(1-methylimidazol-2-yl)methylamino]pyrimidin-4-yl]azetidin-1-yl]ethanone?
1-[(2R)-2-[2-methyl-6-[(1-methylimidazol-2-yl)methylamino]pyrimidin-4-yl]azetidin-1-yl]ethanone has a molecular weight of 300.37 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[2-methyl-6-[(1-methylimidazol-2-yl)methylamino]pyrimidin-4-yl]azetidin-1-yl]ethanone is sourced from PubChem (CID 95846739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).