2-(2-aminopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

C8H11N3O3 — CID 83699172

IUPAC2-(2-aminopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCC(N)Cc1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-4(9)2-6-10-3-5(8(13)14)7(12)11-6/h3-4H,2,9H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyCPROBOOGKMQNTI-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.64
Rot. Bonds3

About 2-(2-aminopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

2-(2-aminopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 83699172) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(2-aminopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-aminopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID83699172
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-(2-aminopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCC(N)Cc1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-4(9)2-6-10-3-5(8(13)14)7(12)11-6/h3-4H,2,9H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyCPROBOOGKMQNTI-UHFFFAOYSA-N
XLogP-0.64
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidine-5-carboxylic acid
CID 65131337
2-(methylsulfonylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 62473467
6-oxo-2-(3-phenylpropyl)-1H-pyrimidine-5-carboxylic acid
CID 82168303
2-[(4-bromophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 62021303
2-[(4-tert-butylphenoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 82168285
6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-5-carboxylic acid
CID 103476106
2-[(4-fluorophenoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 82168297
1-(5-bromo-1H-imidazol-2-yl)propan-2-amine
CID 83881752
2-[5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]acetic acid
CID 84677639
2-(naphthalen-1-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 99976497
2-[(4-methoxy-3-methylphenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 100523269
2-[[benzyl(methylsulfonyl)amino]methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 53214761

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-aminopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 83699172) is 2-(2-aminopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-aminopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-aminopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is CC(N)Cc1ncc(C(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-(2-aminopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is CPROBOOGKMQNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-4(9)2-6-10-3-5(8(13)14)7(12)11-6/h3-4H,2,9H2,1H3,(H,13,14)(H,10,11,12).
What are the key properties of 2-(2-aminopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(2-aminopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of -0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83699172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).