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

C12H18N4O3 — CID 136959739

IUPAC1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C12H18N4O3/c1-7(2)12(11(18)19)3-4-16(5-12)9-8(13)10(17)15-6-14-9/h6-7H,3-5,13H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyJPPRNFCLOIWYOT-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.29
Rot. Bonds3

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

1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 136959739) 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-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID136959739
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C12H18N4O3/c1-7(2)12(11(18)19)3-4-16(5-12)9-8(13)10(17)15-6-14-9/h6-7H,3-5,13H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyJPPRNFCLOIWYOT-UHFFFAOYSA-N
XLogP0.29
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.29
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-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 136959739) is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)C1(C(=O)O)CCN(c2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is JPPRNFCLOIWYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-7(2)12(11(18)19)3-4-16(5-12)9-8(13)10(17)15-6-14-9/h6-7H,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-propan-2-ylpyrrolidine-3-carboxylic acid?
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.29, 3 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-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 136959739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).