4-cyclopropyl-2-[methyl(propan-2-yl)amino]pyrimidine-5-carboxylic acid

C12H17N3O2 — CID 83841869

IUPAC4-cyclopropyl-2-[methyl(propan-2-yl)amino]pyrimidine-5-carboxylic acid
SMILESCC(C)N(C)c1ncc(C(=O)O)c(C2CC2)n1
InChIInChI=1S/C12H17N3O2/c1-7(2)15(3)12-13-6-9(11(16)17)10(14-12)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyJMRKDRISWLRAOY-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.90
Rot. Bonds4

About 4-cyclopropyl-2-[methyl(propan-2-yl)amino]pyrimidine-5-carboxylic acid

4-cyclopropyl-2-[methyl(propan-2-yl)amino]pyrimidine-5-carboxylic acid (PubChem CID 83841869) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-cyclopropyl-2-[methyl(propan-2-yl)amino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-[methyl(propan-2-yl)amino]pyrimidine-5-carboxylic acid
PubChem CID83841869
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-cyclopropyl-2-[methyl(propan-2-yl)amino]pyrimidine-5-carboxylic acid
SMILESCC(C)N(C)c1ncc(C(=O)O)c(C2CC2)n1
InChIInChI=1S/C12H17N3O2/c1-7(2)15(3)12-13-6-9(11(16)17)10(14-12)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyJMRKDRISWLRAOY-UHFFFAOYSA-N
XLogP1.90
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[methyl(propan-2-yl)amino]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-[methyl(propan-2-yl)amino]pyrimidine-5-carboxylic acid (CID 83841869) is 4-cyclopropyl-2-[methyl(propan-2-yl)amino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-[methyl(propan-2-yl)amino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-[methyl(propan-2-yl)amino]pyrimidine-5-carboxylic acid is CC(C)N(C)c1ncc(C(=O)O)c(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-2-[methyl(propan-2-yl)amino]pyrimidine-5-carboxylic acid?
The InChIKey is JMRKDRISWLRAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-7(2)15(3)12-13-6-9(11(16)17)10(14-12)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 4-cyclopropyl-2-[methyl(propan-2-yl)amino]pyrimidine-5-carboxylic acid?
4-cyclopropyl-2-[methyl(propan-2-yl)amino]pyrimidine-5-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[methyl(propan-2-yl)amino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83841869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).