2,4-diamino-1H-pyrimidine-2-carboxylic acid

C5H8N4O2 — CID 152754687

IUPAC2,4-diamino-1H-pyrimidine-2-carboxylic acid
SMILESNC1=NC(N)(C(=O)O)NC=C1
InChIInChI=1S/C5H8N4O2/c6-3-1-2-8-5(7,9-3)4(10)11/h1-2,8H,7H2,(H2,6,9)(H,10,11)
InChIKeyIFAHTSUDRYXQCD-UHFFFAOYSA-N
MW156.15 g/mol
LogP-1.84
Rot. Bonds1

About 2,4-diamino-1H-pyrimidine-2-carboxylic acid

2,4-diamino-1H-pyrimidine-2-carboxylic acid (PubChem CID 152754687) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 2,4-diamino-1H-pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name2,4-diamino-1H-pyrimidine-2-carboxylic acid
PubChem CID152754687
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name2,4-diamino-1H-pyrimidine-2-carboxylic acid
SMILESNC1=NC(N)(C(=O)O)NC=C1
InChIInChI=1S/C5H8N4O2/c6-3-1-2-8-5(7,9-3)4(10)11/h1-2,8H,7H2,(H2,6,9)(H,10,11)
InChIKeyIFAHTSUDRYXQCD-UHFFFAOYSA-N
XLogP-1.84
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Amino-2-oxo-2H-pyrimidin-1-yl)-acetic acid
CID 21868458
2-Amino-2-(4-amino-2-oxopyrimidin-1-yl)acetic acid
CID 22326327
1,4-Dihydropyrimidine-2-carboxylic acid
CID 69990529
4-amino-2-chloro-1H-pyrimidine-2-carboxylic acid
CID 140591048
ethyl 2,4-diamino-1H-pyrimidine-2-carboxylate
CID 151157470
4-amino-2-methyl-1H-pyrimidine-2-carboxylic acid
CID 152759569

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-1H-pyrimidine-2-carboxylic acid?
The IUPAC name of 2,4-diamino-1H-pyrimidine-2-carboxylic acid (CID 152754687) is 2,4-diamino-1H-pyrimidine-2-carboxylic acid.
What is the SMILES notation for 2,4-diamino-1H-pyrimidine-2-carboxylic acid?
The canonical SMILES for 2,4-diamino-1H-pyrimidine-2-carboxylic acid is NC1=NC(N)(C(=O)O)NC=C1.
What is the InChIKey of 2,4-diamino-1H-pyrimidine-2-carboxylic acid?
The InChIKey is IFAHTSUDRYXQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c6-3-1-2-8-5(7,9-3)4(10)11/h1-2,8H,7H2,(H2,6,9)(H,10,11).
What are the key properties of 2,4-diamino-1H-pyrimidine-2-carboxylic acid?
2,4-diamino-1H-pyrimidine-2-carboxylic acid has a molecular weight of 156.15 g/mol, XLogP of -1.84, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-1H-pyrimidine-2-carboxylic acid is sourced from PubChem (CID 152754687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).