4-chloro-6-cyclopropylpyrimidin-5-amine

C7H8ClN3 — CID 123132320

IUPAC4-chloro-6-cyclopropylpyrimidin-5-amine
SMILESNc1c(Cl)ncnc1C1CC1
InChIInChI=1S/C7H8ClN3/c8-7-5(9)6(4-1-2-4)10-3-11-7/h3-4H,1-2,9H2
InChIKeyKOEXSDJURODZLT-UHFFFAOYSA-N
MW169.62 g/mol
LogP1.59
Rot. Bonds1

About 4-chloro-6-cyclopropylpyrimidin-5-amine

4-chloro-6-cyclopropylpyrimidin-5-amine (PubChem CID 123132320) has the molecular formula C7H8ClN3 and a molecular weight of 169.62 g/mol. Its IUPAC name is 4-chloro-6-cyclopropylpyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-cyclopropylpyrimidin-5-amine
PubChem CID123132320
Molecular FormulaC7H8ClN3
Molecular Weight169.62 g/mol
Exact Mass169.04
IUPAC Name4-chloro-6-cyclopropylpyrimidin-5-amine
SMILESNc1c(Cl)ncnc1C1CC1
InChIInChI=1S/C7H8ClN3/c8-7-5(9)6(4-1-2-4)10-3-11-7/h3-4H,1-2,9H2
InChIKeyKOEXSDJURODZLT-UHFFFAOYSA-N
XLogP1.59
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.62
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropylpyrimidin-5-amine?
The IUPAC name of 4-chloro-6-cyclopropylpyrimidin-5-amine (CID 123132320) is 4-chloro-6-cyclopropylpyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-cyclopropylpyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-cyclopropylpyrimidin-5-amine is Nc1c(Cl)ncnc1C1CC1.
What is the InChIKey of 4-chloro-6-cyclopropylpyrimidin-5-amine?
The InChIKey is KOEXSDJURODZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3/c8-7-5(9)6(4-1-2-4)10-3-11-7/h3-4H,1-2,9H2.
What are the key properties of 4-chloro-6-cyclopropylpyrimidin-5-amine?
4-chloro-6-cyclopropylpyrimidin-5-amine has a molecular weight of 169.62 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropylpyrimidin-5-amine is sourced from PubChem (CID 123132320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).