1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide

C10H15N5O2 — CID 136989886

IUPAC1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C10H15N5O2/c11-7-9(13-5-14-10(7)17)15-3-1-2-6(4-15)8(12)16/h5-6H,1-4,11H2,(H2,12,16)(H,13,14,17)
InChIKeyKTCBHYSFMSXNHL-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.95
Rot. Bonds2

About 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide

1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 136989886) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID136989886
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C10H15N5O2/c11-7-9(13-5-14-10(7)17)15-3-1-2-6(4-15)8(12)16/h5-6H,1-4,11H2,(H2,12,16)(H,13,14,17)
InChIKeyKTCBHYSFMSXNHL-UHFFFAOYSA-N
XLogP-0.95
TPSA118.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568286
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687959
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687972
N-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
CID 136687975
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136689238
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
5-amino-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805365
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
CID 136957389
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
CID 136957390
5-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136958165

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide (CID 136989886) is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide is NC(=O)C1CCCN(c2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is KTCBHYSFMSXNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c11-7-9(13-5-14-10(7)17)15-3-1-2-6(4-15)8(12)16/h5-6H,1-4,11H2,(H2,12,16)(H,13,14,17).
What are the key properties of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 136989886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).