1-[2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone

C12H18N4O2 — CID 110269315

IUPAC1-[2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCCC1c1ccnc(N)n1
InChIInChI=1S/C12H18N4O2/c1-18-8-11(17)16-7-3-2-4-10(16)9-5-6-14-12(13)15-9/h5-6,10H,2-4,7-8H2,1H3,(H2,13,14,15)
InChIKeyYPKWUAJVHHGGQK-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.76
Rot. Bonds3

About 1-[2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone

1-[2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone (PubChem CID 110269315) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
PubChem CID110269315
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-[2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCCC1c1ccnc(N)n1
InChIInChI=1S/C12H18N4O2/c1-18-8-11(17)16-7-3-2-4-10(16)9-5-6-14-12(13)15-9/h5-6,10H,2-4,7-8H2,1H3,(H2,13,14,15)
InChIKeyYPKWUAJVHHGGQK-UHFFFAOYSA-N
XLogP0.76
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone
CID 95843219
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110254248
1-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 95836907
4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 125000364
[(2S)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95824426
3-[6-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide
CID 95820731
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 110254541
[(2R)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95845020
2-methoxy-1-[2-[6-(2-propan-2-ylpyrazol-3-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110101896
4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95844879
1-[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone
CID 95818099
1-[(2S)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone
CID 125021298

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone (CID 110269315) is 1-[2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCCCC1c1ccnc(N)n1.
What is the InChIKey of 1-[2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone?
The InChIKey is YPKWUAJVHHGGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-18-8-11(17)16-7-3-2-4-10(16)9-5-6-14-12(13)15-9/h5-6,10H,2-4,7-8H2,1H3,(H2,13,14,15).
What are the key properties of 1-[2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone?
1-[2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone has a molecular weight of 250.30 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 110269315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).