4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine

C9H12ClN3 — CID 82460935

IUPAC4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine
SMILESCCc1cc(Cl)nc(NC2CC2)n1
InChIInChI=1S/C9H12ClN3/c1-2-6-5-8(10)13-9(11-6)12-7-3-4-7/h5,7H,2-4H2,1H3,(H,11,12,13)
InChIKeyVSYZFAACCRZYFA-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.27
Rot. Bonds3

About 4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine

4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine (PubChem CID 82460935) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine
PubChem CID82460935
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine
SMILESCCc1cc(Cl)nc(NC2CC2)n1
InChIInChI=1S/C9H12ClN3/c1-2-6-5-8(10)13-9(11-6)12-7-3-4-7/h5,7H,2-4H2,1H3,(H,11,12,13)
InChIKeyVSYZFAACCRZYFA-UHFFFAOYSA-N
XLogP2.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine?
The IUPAC name of 4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine (CID 82460935) is 4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine is CCc1cc(Cl)nc(NC2CC2)n1.
What is the InChIKey of 4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine?
The InChIKey is VSYZFAACCRZYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-2-6-5-8(10)13-9(11-6)12-7-3-4-7/h5,7H,2-4H2,1H3,(H,11,12,13).
What are the key properties of 4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine?
4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine has a molecular weight of 197.67 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine is sourced from PubChem (CID 82460935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).