2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid

C10H11N3O3 — CID 67508732

IUPAC2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(NC(=O)C2CC2)n1
InChIInChI=1S/C10H11N3O3/c1-5-4-7(9(15)16)12-10(11-5)13-8(14)6-2-3-6/h4,6H,2-3H2,1H3,(H,15,16)(H,11,12,13,14)
InChIKeyQZYBZVHFFTZTNP-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.83
Rot. Bonds3

About 2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid

2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid (PubChem CID 67508732) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid
PubChem CID67508732
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(NC(=O)C2CC2)n1
InChIInChI=1S/C10H11N3O3/c1-5-4-7(9(15)16)12-10(11-5)13-8(14)6-2-3-6/h4,6H,2-3H2,1H3,(H,15,16)(H,11,12,13,14)
InChIKeyQZYBZVHFFTZTNP-UHFFFAOYSA-N
XLogP0.83
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid (CID 67508732) is 2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(NC(=O)C2CC2)n1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is QZYBZVHFFTZTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-5-4-7(9(15)16)12-10(11-5)13-8(14)6-2-3-6/h4,6H,2-3H2,1H3,(H,15,16)(H,11,12,13,14).
What are the key properties of 2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid?
2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 67508732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).