2-propan-2-yl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-4-carboxylic acid

C15H24N4O2 — CID 62088653

IUPAC2-propan-2-yl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-4-carboxylic acid
SMILESCC(CN1CCCC1)Nc1cnc(C(C)C)nc1C(=O)O
InChIInChI=1S/C15H24N4O2/c1-10(2)14-16-8-12(13(18-14)15(20)21)17-11(3)9-19-6-4-5-7-19/h8,10-11,17H,4-7,9H2,1-3H3,(H,20,21)
InChIKeyGQKBQFMJVCGJTM-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.19
Rot. Bonds6

About 2-propan-2-yl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-4-carboxylic acid

2-propan-2-yl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-4-carboxylic acid (PubChem CID 62088653) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-propan-2-yl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-4-carboxylic acid
PubChem CID62088653
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-propan-2-yl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-4-carboxylic acid
SMILESCC(CN1CCCC1)Nc1cnc(C(C)C)nc1C(=O)O
InChIInChI=1S/C15H24N4O2/c1-10(2)14-16-8-12(13(18-14)15(20)21)17-11(3)9-19-6-4-5-7-19/h8,10-11,17H,4-7,9H2,1-3H3,(H,20,21)
InChIKeyGQKBQFMJVCGJTM-UHFFFAOYSA-N
XLogP2.19
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-propan-2-yl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(dimethylamino)butan-2-ylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087048
2-propan-2-yl-5-(prop-2-ynylamino)pyrimidine-4-carboxylic acid
CID 62085951
5-(2-hydroxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62487298
5-(butylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086122
3-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid
CID 61477469
5-[(1-methylpyrazol-4-yl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62088124
2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid
CID 62232558
5-(6-hydroxyhexylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 107853418
2-(1-piperidin-1-ylpropan-2-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80571509
5-[(2-methylthiolan-2-yl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 80738151
6-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 66464130
5-[2-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62088661

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-propan-2-yl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-4-carboxylic acid (CID 62088653) is 2-propan-2-yl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-4-carboxylic acid is CC(CN1CCCC1)Nc1cnc(C(C)C)nc1C(=O)O.
What is the InChIKey of 2-propan-2-yl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-4-carboxylic acid?
The InChIKey is GQKBQFMJVCGJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10(2)14-16-8-12(13(18-14)15(20)21)17-11(3)9-19-6-4-5-7-19/h8,10-11,17H,4-7,9H2,1-3H3,(H,20,21).
What are the key properties of 2-propan-2-yl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-4-carboxylic acid?
2-propan-2-yl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-4-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 62088653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).