2-(cyclopropylmethylamino)-4-methylpyrimidine-5-carboxylic acid

C10H13N3O2 — CID 83181649

IUPAC2-(cyclopropylmethylamino)-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(NCC2CC2)ncc1C(=O)O
InChIInChI=1S/C10H13N3O2/c1-6-8(9(14)15)5-12-10(13-6)11-4-7-2-3-7/h5,7H,2-4H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyQZMQHOQZUZROIM-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.31
Rot. Bonds4

About 2-(cyclopropylmethylamino)-4-methylpyrimidine-5-carboxylic acid

2-(cyclopropylmethylamino)-4-methylpyrimidine-5-carboxylic acid (PubChem CID 83181649) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-4-methylpyrimidine-5-carboxylic acid
PubChem CID83181649
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-(cyclopropylmethylamino)-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(NCC2CC2)ncc1C(=O)O
InChIInChI=1S/C10H13N3O2/c1-6-8(9(14)15)5-12-10(13-6)11-4-7-2-3-7/h5,7H,2-4H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyQZMQHOQZUZROIM-UHFFFAOYSA-N
XLogP1.31
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(cyclopropylmethylamino)-4-methylpyrimidine-5-carboxylic acid (CID 83181649) is 2-(cyclopropylmethylamino)-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(cyclopropylmethylamino)-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(cyclopropylmethylamino)-4-methylpyrimidine-5-carboxylic acid is Cc1nc(NCC2CC2)ncc1C(=O)O.
What is the InChIKey of 2-(cyclopropylmethylamino)-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is QZMQHOQZUZROIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6-8(9(14)15)5-12-10(13-6)11-4-7-2-3-7/h5,7H,2-4H2,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-(cyclopropylmethylamino)-4-methylpyrimidine-5-carboxylic acid?
2-(cyclopropylmethylamino)-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).