5-amino-2-chloropyrimidine-4-carboxamide

C5H5ClN4O — CID 10583343

IUPAC5-amino-2-chloropyrimidine-4-carboxamide
SMILESNC(=O)c1nc(Cl)ncc1N
InChIInChI=1S/C5H5ClN4O/c6-5-9-1-2(7)3(10-5)4(8)11/h1H,7H2,(H2,8,11)
InChIKeyJEUXWOILMWLGAL-UHFFFAOYSA-N
MW172.58 g/mol
LogP-0.19
Rot. Bonds1

About 5-amino-2-chloropyrimidine-4-carboxamide

5-amino-2-chloropyrimidine-4-carboxamide (PubChem CID 10583343) has the molecular formula C5H5ClN4O and a molecular weight of 172.58 g/mol. Its IUPAC name is 5-amino-2-chloropyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-chloropyrimidine-4-carboxamide
PubChem CID10583343
Molecular FormulaC5H5ClN4O
Molecular Weight172.58 g/mol
Exact Mass172.02
IUPAC Name5-amino-2-chloropyrimidine-4-carboxamide
SMILESNC(=O)c1nc(Cl)ncc1N
InChIInChI=1S/C5H5ClN4O/c6-5-9-1-2(7)3(10-5)4(8)11/h1H,7H2,(H2,8,11)
InChIKeyJEUXWOILMWLGAL-UHFFFAOYSA-N
XLogP-0.19
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.58
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloropyrimidine-4-carboxamide?
The IUPAC name of 5-amino-2-chloropyrimidine-4-carboxamide (CID 10583343) is 5-amino-2-chloropyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-2-chloropyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-2-chloropyrimidine-4-carboxamide is NC(=O)c1nc(Cl)ncc1N.
What is the InChIKey of 5-amino-2-chloropyrimidine-4-carboxamide?
The InChIKey is JEUXWOILMWLGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN4O/c6-5-9-1-2(7)3(10-5)4(8)11/h1H,7H2,(H2,8,11).
What are the key properties of 5-amino-2-chloropyrimidine-4-carboxamide?
5-amino-2-chloropyrimidine-4-carboxamide has a molecular weight of 172.58 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloropyrimidine-4-carboxamide is sourced from PubChem (CID 10583343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).