1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid

C12H18N4O3 — CID 136954402

IUPAC1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid
SMILESCC1(C)CCCN(c2nc[nH]c(=O)c2N)C1C(=O)O
InChIInChI=1S/C12H18N4O3/c1-12(2)4-3-5-16(8(12)11(18)19)9-7(13)10(17)15-6-14-9/h6,8H,3-5,13H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyPVVDOQCLRKOGHT-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.43
Rot. Bonds2

About 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid

1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid (PubChem CID 136954402) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid
PubChem CID136954402
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid
SMILESCC1(C)CCCN(c2nc[nH]c(=O)c2N)C1C(=O)O
InChIInChI=1S/C12H18N4O3/c1-12(2)4-3-5-16(8(12)11(18)19)9-7(13)10(17)15-6-14-9/h6,8H,3-5,13H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyPVVDOQCLRKOGHT-UHFFFAOYSA-N
XLogP0.43
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid (CID 136954402) is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid is CC1(C)CCCN(c2nc[nH]c(=O)c2N)C1C(=O)O.
What is the InChIKey of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid?
The InChIKey is PVVDOQCLRKOGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-12(2)4-3-5-16(8(12)11(18)19)9-7(13)10(17)15-6-14-9/h6,8H,3-5,13H2,1-2H3,(H,18,19)(H,14,15,17).
What are the key properties of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid?
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.43, 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)-3,3-dimethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 136954402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).