4-amino-2-(cyclopropylamino)pyrimidine-5-carboxylic acid

C8H10N4O2 — CID 116640912

IUPAC4-amino-2-(cyclopropylamino)pyrimidine-5-carboxylic acid
SMILESNc1nc(NC2CC2)ncc1C(=O)O
InChIInChI=1S/C8H10N4O2/c9-6-5(7(13)14)3-10-8(12-6)11-4-1-2-4/h3-4H,1-2H2,(H,13,14)(H3,9,10,11,12)
InChIKeyOWOOEPGMCMVMKT-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.33
Rot. Bonds3

About 4-amino-2-(cyclopropylamino)pyrimidine-5-carboxylic acid

4-amino-2-(cyclopropylamino)pyrimidine-5-carboxylic acid (PubChem CID 116640912) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-amino-2-(cyclopropylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-(cyclopropylamino)pyrimidine-5-carboxylic acid
PubChem CID116640912
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name4-amino-2-(cyclopropylamino)pyrimidine-5-carboxylic acid
SMILESNc1nc(NC2CC2)ncc1C(=O)O
InChIInChI=1S/C8H10N4O2/c9-6-5(7(13)14)3-10-8(12-6)11-4-1-2-4/h3-4H,1-2H2,(H,13,14)(H3,9,10,11,12)
InChIKeyOWOOEPGMCMVMKT-UHFFFAOYSA-N
XLogP0.33
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopropylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-amino-2-(cyclopropylamino)pyrimidine-5-carboxylic acid (CID 116640912) is 4-amino-2-(cyclopropylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-amino-2-(cyclopropylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-amino-2-(cyclopropylamino)pyrimidine-5-carboxylic acid is Nc1nc(NC2CC2)ncc1C(=O)O.
What is the InChIKey of 4-amino-2-(cyclopropylamino)pyrimidine-5-carboxylic acid?
The InChIKey is OWOOEPGMCMVMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c9-6-5(7(13)14)3-10-8(12-6)11-4-1-2-4/h3-4H,1-2H2,(H,13,14)(H3,9,10,11,12).
What are the key properties of 4-amino-2-(cyclopropylamino)pyrimidine-5-carboxylic acid?
4-amino-2-(cyclopropylamino)pyrimidine-5-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclopropylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 116640912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).