6-chloro-N-cyclopropylpyrimidin-4-amine

C7H8ClN3 — CID 22309479

IUPAC6-chloro-N-cyclopropylpyrimidin-4-amine
SMILESClc1cc(NC2CC2)ncn1
InChIInChI=1S/C7H8ClN3/c8-6-3-7(10-4-9-6)11-5-1-2-5/h3-5H,1-2H2,(H,9,10,11)
InChIKeyZFIQMVQXKPRCGZ-UHFFFAOYSA-N
MW169.62 g/mol
LogP1.70
Rot. Bonds2

About 6-chloro-N-cyclopropylpyrimidin-4-amine

6-chloro-N-cyclopropylpyrimidin-4-amine (PubChem CID 22309479) has the molecular formula C7H8ClN3 and a molecular weight of 169.62 g/mol. Its IUPAC name is 6-chloro-N-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopropylpyrimidin-4-amine
PubChem CID22309479
Molecular FormulaC7H8ClN3
Molecular Weight169.62 g/mol
Exact Mass169.04
IUPAC Name6-chloro-N-cyclopropylpyrimidin-4-amine
SMILESClc1cc(NC2CC2)ncn1
InChIInChI=1S/C7H8ClN3/c8-6-3-7(10-4-9-6)11-5-1-2-5/h3-5H,1-2H2,(H,9,10,11)
InChIKeyZFIQMVQXKPRCGZ-UHFFFAOYSA-N
XLogP1.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.62
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopropylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclopropylpyrimidin-4-amine (CID 22309479) is 6-chloro-N-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclopropylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclopropylpyrimidin-4-amine is Clc1cc(NC2CC2)ncn1.
What is the InChIKey of 6-chloro-N-cyclopropylpyrimidin-4-amine?
The InChIKey is ZFIQMVQXKPRCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3/c8-6-3-7(10-4-9-6)11-5-1-2-5/h3-5H,1-2H2,(H,9,10,11).
What are the key properties of 6-chloro-N-cyclopropylpyrimidin-4-amine?
6-chloro-N-cyclopropylpyrimidin-4-amine has a molecular weight of 169.62 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 22309479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).