2-amino-1,4-dihydropyrimidine-6-carboxylic acid

C5H7N3O2 — CID 13154369

IUPAC2-amino-1,4-dihydropyrimidine-6-carboxylic acid
SMILESNC1=NCC=C(C(=O)O)N1
InChIInChI=1S/C5H7N3O2/c6-5-7-2-1-3(8-5)4(9)10/h1H,2H2,(H,9,10)(H3,6,7,8)
InChIKeyJGOZCSIBOJZBAN-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.13
Rot. Bonds1

About 2-amino-1,4-dihydropyrimidine-6-carboxylic acid

2-amino-1,4-dihydropyrimidine-6-carboxylic acid (PubChem CID 13154369) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-amino-1,4-dihydropyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-amino-1,4-dihydropyrimidine-6-carboxylic acid
PubChem CID13154369
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name2-amino-1,4-dihydropyrimidine-6-carboxylic acid
SMILESNC1=NCC=C(C(=O)O)N1
InChIInChI=1S/C5H7N3O2/c6-5-7-2-1-3(8-5)4(9)10/h1H,2H2,(H,9,10)(H3,6,7,8)
InChIKeyJGOZCSIBOJZBAN-UHFFFAOYSA-N
XLogP-1.13
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,4-dihydropyrimidine-6-carboxylic acid?
The IUPAC name of 2-amino-1,4-dihydropyrimidine-6-carboxylic acid (CID 13154369) is 2-amino-1,4-dihydropyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-amino-1,4-dihydropyrimidine-6-carboxylic acid?
The canonical SMILES for 2-amino-1,4-dihydropyrimidine-6-carboxylic acid is NC1=NCC=C(C(=O)O)N1.
What is the InChIKey of 2-amino-1,4-dihydropyrimidine-6-carboxylic acid?
The InChIKey is JGOZCSIBOJZBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c6-5-7-2-1-3(8-5)4(9)10/h1H,2H2,(H,9,10)(H3,6,7,8).
What are the key properties of 2-amino-1,4-dihydropyrimidine-6-carboxylic acid?
2-amino-1,4-dihydropyrimidine-6-carboxylic acid has a molecular weight of 141.13 g/mol, XLogP of -1.13, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,4-dihydropyrimidine-6-carboxylic acid is sourced from PubChem (CID 13154369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).