4-aminopyrimidine-5-carboxamide

C5H6N4O — CID 818212

IUPAC4-aminopyrimidine-5-carboxamide
SMILESNC(=O)c1cncnc1N
InChIInChI=1S/C5H6N4O/c6-4-3(5(7)10)1-8-2-9-4/h1-2H,(H2,7,10)(H2,6,8,9)
InChIKeyLHRPKQMNCPCVQL-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.84
Rot. Bonds1

About 4-aminopyrimidine-5-carboxamide

4-aminopyrimidine-5-carboxamide (PubChem CID 818212) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is 4-aminopyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-aminopyrimidine-5-carboxamide
PubChem CID818212
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC Name4-aminopyrimidine-5-carboxamide
SMILESNC(=O)c1cncnc1N
InChIInChI=1S/C5H6N4O/c6-4-3(5(7)10)1-8-2-9-4/h1-2H,(H2,7,10)(H2,6,8,9)
InChIKeyLHRPKQMNCPCVQL-UHFFFAOYSA-N
XLogP-0.84
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-aminopyrimidine-5-carboxamide?
The IUPAC name of 4-aminopyrimidine-5-carboxamide (CID 818212) is 4-aminopyrimidine-5-carboxamide.
What is the SMILES notation for 4-aminopyrimidine-5-carboxamide?
The canonical SMILES for 4-aminopyrimidine-5-carboxamide is NC(=O)c1cncnc1N.
What is the InChIKey of 4-aminopyrimidine-5-carboxamide?
The InChIKey is LHRPKQMNCPCVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O/c6-4-3(5(7)10)1-8-2-9-4/h1-2H,(H2,7,10)(H2,6,8,9).
What are the key properties of 4-aminopyrimidine-5-carboxamide?
4-aminopyrimidine-5-carboxamide has a molecular weight of 138.13 g/mol, XLogP of -0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopyrimidine-5-carboxamide is sourced from PubChem (CID 818212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).