2-[cyclopropyl-[(2-methylpyrazol-3-yl)methyl]amino]pyrimidine-4-carboxylic acid

C13H15N5O2 — CID 167874786

IUPAC2-[cyclopropyl-[(2-methylpyrazol-3-yl)methyl]amino]pyrimidine-4-carboxylic acid
SMILESCn1nccc1CN(c1nccc(C(=O)O)n1)C1CC1
InChIInChI=1S/C13H15N5O2/c1-17-10(4-7-15-17)8-18(9-2-3-9)13-14-6-5-11(16-13)12(19)20/h4-7,9H,2-3,8H2,1H3,(H,19,20)
InChIKeyWJMHGFWMIZRNJA-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.08
Rot. Bonds5

About 2-[cyclopropyl-[(2-methylpyrazol-3-yl)methyl]amino]pyrimidine-4-carboxylic acid

2-[cyclopropyl-[(2-methylpyrazol-3-yl)methyl]amino]pyrimidine-4-carboxylic acid (PubChem CID 167874786) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2-methylpyrazol-3-yl)methyl]amino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(2-methylpyrazol-3-yl)methyl]amino]pyrimidine-4-carboxylic acid
PubChem CID167874786
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name2-[cyclopropyl-[(2-methylpyrazol-3-yl)methyl]amino]pyrimidine-4-carboxylic acid
SMILESCn1nccc1CN(c1nccc(C(=O)O)n1)C1CC1
InChIInChI=1S/C13H15N5O2/c1-17-10(4-7-15-17)8-18(9-2-3-9)13-14-6-5-11(16-13)12(19)20/h4-7,9H,2-3,8H2,1H3,(H,19,20)
InChIKeyWJMHGFWMIZRNJA-UHFFFAOYSA-N
XLogP1.08
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2-methylpyrazol-3-yl)methyl]amino]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[cyclopropyl-[(2-methylpyrazol-3-yl)methyl]amino]pyrimidine-4-carboxylic acid (CID 167874786) is 2-[cyclopropyl-[(2-methylpyrazol-3-yl)methyl]amino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl-[(2-methylpyrazol-3-yl)methyl]amino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl-[(2-methylpyrazol-3-yl)methyl]amino]pyrimidine-4-carboxylic acid is Cn1nccc1CN(c1nccc(C(=O)O)n1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(2-methylpyrazol-3-yl)methyl]amino]pyrimidine-4-carboxylic acid?
The InChIKey is WJMHGFWMIZRNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-17-10(4-7-15-17)8-18(9-2-3-9)13-14-6-5-11(16-13)12(19)20/h4-7,9H,2-3,8H2,1H3,(H,19,20).
What are the key properties of 2-[cyclopropyl-[(2-methylpyrazol-3-yl)methyl]amino]pyrimidine-4-carboxylic acid?
2-[cyclopropyl-[(2-methylpyrazol-3-yl)methyl]amino]pyrimidine-4-carboxylic acid has a molecular weight of 273.30 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2-methylpyrazol-3-yl)methyl]amino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 167874786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).