4-amino-2-chloropyrimidine-5-carboxylic acid

C5H4ClN3O2 — CID 46863895

IUPAC4-amino-2-chloropyrimidine-5-carboxylic acid
SMILESNc1nc(Cl)ncc1C(=O)O
InChIInChI=1S/C5H4ClN3O2/c6-5-8-1-2(4(10)11)3(7)9-5/h1H,(H,10,11)(H2,7,8,9)
InChIKeyWANKDJMLEJFSMC-UHFFFAOYSA-N
MW173.56 g/mol
LogP0.41
Rot. Bonds1

About 4-amino-2-chloropyrimidine-5-carboxylic acid

4-amino-2-chloropyrimidine-5-carboxylic acid (PubChem CID 46863895) has the molecular formula C5H4ClN3O2 and a molecular weight of 173.56 g/mol. Its IUPAC name is 4-amino-2-chloropyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-chloropyrimidine-5-carboxylic acid
PubChem CID46863895
Molecular FormulaC5H4ClN3O2
Molecular Weight173.56 g/mol
Exact Mass173.00
IUPAC Name4-amino-2-chloropyrimidine-5-carboxylic acid
SMILESNc1nc(Cl)ncc1C(=O)O
InChIInChI=1S/C5H4ClN3O2/c6-5-8-1-2(4(10)11)3(7)9-5/h1H,(H,10,11)(H2,7,8,9)
InChIKeyWANKDJMLEJFSMC-UHFFFAOYSA-N
XLogP0.41
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.56
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-(trichloromethyl)pyrimidine-5-carboxylic acid
CID 165466688
4-amino-2-[(dimethylamino)methyl]pyrimidine-5-carboxylic acid
CID 116640960
4-amino-2-[(2,4-dichlorophenyl)methyl]pyrimidine-5-carboxylic acid
CID 116640812
4-amino-2-(cyclopropylamino)pyrimidine-5-carboxylic acid
CID 116640912
lithium;2-amino-6-chloropyridine-3-carboxylic acid;hydride
CID 173014612
4-[(4-aminocyclohexyl)amino]-2-chloropyrimidine-5-carboxylic acid
CID 89127830
2-amino-6-chloro-5-fluoropyridine-3-carboxylic acid
CID 165124028
4-amino-2-(tert-butylsulfanylmethyl)pyrimidine-5-carboxylic acid
CID 116640822
2-[(5-amino-2-chloropyrimidin-4-yl)amino]benzoic acid;hydrochloride
CID 140635040
(3S)-1-(4-amino-2-chloropyrimidin-5-yl)piperidine-3-carboxylic acid
CID 177244085
4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid;N-methoxymethanamine
CID 172808365
4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylic acid
CID 116640823

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloropyrimidine-5-carboxylic acid?
The IUPAC name of 4-amino-2-chloropyrimidine-5-carboxylic acid (CID 46863895) is 4-amino-2-chloropyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-amino-2-chloropyrimidine-5-carboxylic acid?
The canonical SMILES for 4-amino-2-chloropyrimidine-5-carboxylic acid is Nc1nc(Cl)ncc1C(=O)O.
What is the InChIKey of 4-amino-2-chloropyrimidine-5-carboxylic acid?
The InChIKey is WANKDJMLEJFSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN3O2/c6-5-8-1-2(4(10)11)3(7)9-5/h1H,(H,10,11)(H2,7,8,9).
What are the key properties of 4-amino-2-chloropyrimidine-5-carboxylic acid?
4-amino-2-chloropyrimidine-5-carboxylic acid has a molecular weight of 173.56 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloropyrimidine-5-carboxylic acid is sourced from PubChem (CID 46863895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).