1-[(3R)-3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone

C14H22N4O2 — CID 95845771

IUPAC1-[(3R)-3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone
SMILESCc1nc([C@@H]2CCCN(C(=O)CO)C2)cc(N(C)C)n1
InChIInChI=1S/C14H22N4O2/c1-10-15-12(7-13(16-10)17(2)3)11-5-4-6-18(8-11)14(20)9-19/h7,11,19H,4-6,8-9H2,1-3H3/t11-/m1/s1
InChIKeyVVFAWBFFURVUDD-LLVKDONJSA-N
MW278.36 g/mol
LogP0.55
Rot. Bonds3

About 1-[(3R)-3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone

1-[(3R)-3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone (PubChem CID 95845771) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[(3R)-3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[(3R)-3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone
PubChem CID95845771
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-[(3R)-3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone
SMILESCc1nc([C@@H]2CCCN(C(=O)CO)C2)cc(N(C)C)n1
InChIInChI=1S/C14H22N4O2/c1-10-15-12(7-13(16-10)17(2)3)11-5-4-6-18(8-11)14(20)9-19/h7,11,19H,4-6,8-9H2,1-3H3/t11-/m1/s1
InChIKeyVVFAWBFFURVUDD-LLVKDONJSA-N
XLogP0.55
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-1-[(3R)-3-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 124950305
2-(dimethylamino)-1-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 95867348
2-cyclohexyl-1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110239950
1-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-2-propoxyethanone
CID 95869237
1-[(3S)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
CID 125014709
1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 110256849
3-[6-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide
CID 124943919
2-hydroxy-1-[3-[6-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 155899913
1-[(3R)-3-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 92607041
2-hydroxy-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 110269368
1-[(3R)-3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 92606896
1-[(3S)-3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 92606897

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[(3R)-3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone (CID 95845771) is 1-[(3R)-3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[(3R)-3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[(3R)-3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone is Cc1nc([C@@H]2CCCN(C(=O)CO)C2)cc(N(C)C)n1.
What is the InChIKey of 1-[(3R)-3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone?
The InChIKey is VVFAWBFFURVUDD-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-15-12(7-13(16-10)17(2)3)11-5-4-6-18(8-11)14(20)9-19/h7,11,19H,4-6,8-9H2,1-3H3/t11-/m1/s1.
What are the key properties of 1-[(3R)-3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone?
1-[(3R)-3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone has a molecular weight of 278.36 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 95845771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).