1-[(2R)-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one

C13H20N4O — CID 95821548

IUPAC1-[(2R)-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H]1c1nc(C)cc(NC)n1
InChIInChI=1S/C13H20N4O/c1-4-12(18)17-7-5-6-10(17)13-15-9(2)8-11(14-3)16-13/h8,10H,4-7H2,1-3H3,(H,14,15,16)/t10-/m1/s1
InChIKeyNGMFIFBGTYLFMS-SNVBAGLBSA-N
MW248.33 g/mol
LogP1.90
Rot. Bonds3

About 1-[(2R)-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one

1-[(2R)-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 95821548) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[(2R)-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID95821548
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[(2R)-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H]1c1nc(C)cc(NC)n1
InChIInChI=1S/C13H20N4O/c1-4-12(18)17-7-5-6-10(17)13-15-9(2)8-11(14-3)16-13/h8,10H,4-7H2,1-3H3,(H,14,15,16)/t10-/m1/s1
InChIKeyNGMFIFBGTYLFMS-SNVBAGLBSA-N
XLogP1.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110256042
1-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 110269587
1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]propan-1-one
CID 73439064
2-methoxy-1-[2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110269592
1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]propan-1-one
CID 176931580
1-[(2R)-2-[4-methyl-6-(pyrimidin-2-ylamino)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95842240
3-methoxy-1-[3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one
CID 110113786
2-methoxy-1-[(2R)-2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95842353
3-methoxy-1-[(2S)-2-[4-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 95843739
4-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one
CID 124955437
2-(1-hydroxycyclohexyl)-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110091138
cyclopropyl-[(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 95843562

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[(2R)-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 95821548) is 1-[(2R)-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(2R)-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(2R)-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@@H]1c1nc(C)cc(NC)n1.
What is the InChIKey of 1-[(2R)-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is NGMFIFBGTYLFMS-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-12(18)17-7-5-6-10(17)13-15-9(2)8-11(14-3)16-13/h8,10H,4-7H2,1-3H3,(H,14,15,16)/t10-/m1/s1.
What are the key properties of 1-[(2R)-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?
1-[(2R)-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 95821548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).