5-amino-N-(5-oxopyrrolidin-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide

C12H17N5O2 — CID 106197750

IUPAC5-amino-N-(5-oxopyrrolidin-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)NC2CNC(=O)C2)n1
InChIInChI=1S/C12H17N5O2/c1-6(2)11-15-5-8(13)10(17-11)12(19)16-7-3-9(18)14-4-7/h5-7H,3-4,13H2,1-2H3,(H,14,18)(H,16,19)
InChIKeyYYVBQEHAOXKWKW-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.20
Rot. Bonds3

About 5-amino-N-(5-oxopyrrolidin-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide

5-amino-N-(5-oxopyrrolidin-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 106197750) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-amino-N-(5-oxopyrrolidin-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(5-oxopyrrolidin-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID106197750
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name5-amino-N-(5-oxopyrrolidin-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)NC2CNC(=O)C2)n1
InChIInChI=1S/C12H17N5O2/c1-6(2)11-15-5-8(13)10(17-11)12(19)16-7-3-9(18)14-4-7/h5-7H,3-4,13H2,1-2H3,(H,14,18)(H,16,19)
InChIKeyYYVBQEHAOXKWKW-UHFFFAOYSA-N
XLogP-0.20
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(cyclopropylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 55043487
5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62161344
5-amino-N-(2,3-dimethylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 64583560
5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47460243
5-amino-2-propan-2-yl-N-(2-sulfamoylethyl)pyrimidine-4-carboxamide
CID 62155667
5-amino-N-(3-ethylpentan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 65042334
2-amino-6-methyl-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 106197815
6-amino-5-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 113429241
5-amino-2-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
CID 63245152
5-amino-N-(3,4-dimethylphenyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62155005
2-amino-5-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 106197793
2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 114157018

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-oxopyrrolidin-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-(5-oxopyrrolidin-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 106197750) is 5-amino-N-(5-oxopyrrolidin-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-(5-oxopyrrolidin-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-(5-oxopyrrolidin-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(N)c(C(=O)NC2CNC(=O)C2)n1.
What is the InChIKey of 5-amino-N-(5-oxopyrrolidin-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is YYVBQEHAOXKWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-6(2)11-15-5-8(13)10(17-11)12(19)16-7-3-9(18)14-4-7/h5-7H,3-4,13H2,1-2H3,(H,14,18)(H,16,19).
What are the key properties of 5-amino-N-(5-oxopyrrolidin-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-amino-N-(5-oxopyrrolidin-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 263.30 g/mol, XLogP of -0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-oxopyrrolidin-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 106197750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).