4-chloropyrimidin-5-amine

C4H4ClN3 — CID 13404541

IUPAC4-chloropyrimidin-5-amine
SMILESNc1cncnc1Cl
InChIInChI=1S/C4H4ClN3/c5-4-3(6)1-7-2-8-4/h1-2H,6H2
InChIKeyLHGMCUVJFRBVBH-UHFFFAOYSA-N
MW129.55 g/mol
LogP0.71
Rot. Bonds

About 4-chloropyrimidin-5-amine

4-chloropyrimidin-5-amine (PubChem CID 13404541) has the molecular formula C4H4ClN3 and a molecular weight of 129.55 g/mol. Its IUPAC name is 4-chloropyrimidin-5-amine.

Molecular Properties

Compound Name4-chloropyrimidin-5-amine
PubChem CID13404541
Molecular FormulaC4H4ClN3
Molecular Weight129.55 g/mol
Exact Mass129.01
IUPAC Name4-chloropyrimidin-5-amine
SMILESNc1cncnc1Cl
InChIInChI=1S/C4H4ClN3/c5-4-3(6)1-7-2-8-4/h1-2H,6H2
InChIKeyLHGMCUVJFRBVBH-UHFFFAOYSA-N
XLogP0.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.55
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloropyrimidin-5-amine?
The IUPAC name of 4-chloropyrimidin-5-amine (CID 13404541) is 4-chloropyrimidin-5-amine.
What is the SMILES notation for 4-chloropyrimidin-5-amine?
The canonical SMILES for 4-chloropyrimidin-5-amine is Nc1cncnc1Cl.
What is the InChIKey of 4-chloropyrimidin-5-amine?
The InChIKey is LHGMCUVJFRBVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClN3/c5-4-3(6)1-7-2-8-4/h1-2H,6H2.
What are the key properties of 4-chloropyrimidin-5-amine?
4-chloropyrimidin-5-amine has a molecular weight of 129.55 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropyrimidin-5-amine is sourced from PubChem (CID 13404541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).