2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide

C11H17N5O2 — CID 136989964

IUPAC2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C11H17N5O2/c12-8(17)5-7-1-3-16(4-2-7)10-9(13)11(18)15-6-14-10/h6-7H,1-5,13H2,(H2,12,17)(H,14,15,18)
InChIKeyFPEJAXIPBAOGAY-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.56
Rot. Bonds3

About 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide

2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide (PubChem CID 136989964) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide
PubChem CID136989964
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C11H17N5O2/c12-8(17)5-7-1-3-16(4-2-7)10-9(13)11(18)15-6-14-10/h6-7H,1-5,13H2,(H2,12,17)(H,14,15,18)
InChIKeyFPEJAXIPBAOGAY-UHFFFAOYSA-N
XLogP-0.56
TPSA118.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-hydroxy-4-pyrimidinyl)methyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 136217050
N-[(6-hydroxy-4-pyrimidinyl)methyl]-2-(1-propyl-4-piperidinyl)acetamide
CID 136217117
5-amino-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009794
5-amino-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568286
5-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568288
5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 135568308
methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate
CID 135575725
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687972
5-amino-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731876
N-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792778
5-amino-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805337
5-amino-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805355

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide (CID 136989964) is 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide is NC(=O)CC1CCN(c2nc[nH]c(=O)c2N)CC1.
What is the InChIKey of 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is FPEJAXIPBAOGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c12-8(17)5-7-1-3-16(4-2-7)10-9(13)11(18)15-6-14-10/h6-7H,1-5,13H2,(H2,12,17)(H,14,15,18).
What are the key properties of 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide?
2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 251.29 g/mol, XLogP of -0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 136989964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).