2-chloro-5-cyclopropylpyrimidin-4-amine

C7H8ClN3 — CID 89155427

IUPAC2-chloro-5-cyclopropylpyrimidin-4-amine
SMILESNc1nc(Cl)ncc1C1CC1
InChIInChI=1S/C7H8ClN3/c8-7-10-3-5(4-1-2-4)6(9)11-7/h3-4H,1-2H2,(H2,9,10,11)
InChIKeyVSEIJSDKUVLCKT-UHFFFAOYSA-N
MW169.62 g/mol
LogP1.59
Rot. Bonds1

About 2-chloro-5-cyclopropylpyrimidin-4-amine

2-chloro-5-cyclopropylpyrimidin-4-amine (PubChem CID 89155427) has the molecular formula C7H8ClN3 and a molecular weight of 169.62 g/mol. Its IUPAC name is 2-chloro-5-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-cyclopropylpyrimidin-4-amine
PubChem CID89155427
Molecular FormulaC7H8ClN3
Molecular Weight169.62 g/mol
Exact Mass169.04
IUPAC Name2-chloro-5-cyclopropylpyrimidin-4-amine
SMILESNc1nc(Cl)ncc1C1CC1
InChIInChI=1S/C7H8ClN3/c8-7-10-3-5(4-1-2-4)6(9)11-7/h3-4H,1-2H2,(H2,9,10,11)
InChIKeyVSEIJSDKUVLCKT-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 2-chloro-5-cyclopropylpyrimidin-4-amine?
The IUPAC name of 2-chloro-5-cyclopropylpyrimidin-4-amine (CID 89155427) is 2-chloro-5-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-cyclopropylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-cyclopropylpyrimidin-4-amine is Nc1nc(Cl)ncc1C1CC1.
What is the InChIKey of 2-chloro-5-cyclopropylpyrimidin-4-amine?
The InChIKey is VSEIJSDKUVLCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3/c8-7-10-3-5(4-1-2-4)6(9)11-7/h3-4H,1-2H2,(H2,9,10,11).
What are the key properties of 2-chloro-5-cyclopropylpyrimidin-4-amine?
2-chloro-5-cyclopropylpyrimidin-4-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 2-chloro-5-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 89155427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).