4-(aminomethyl)-6-chloropyrimidin-5-amine

C5H7ClN4 — CID 86601389

IUPAC4-(aminomethyl)-6-chloropyrimidin-5-amine
SMILESNCc1ncnc(Cl)c1N
InChIInChI=1S/C5H7ClN4/c6-5-4(8)3(1-7)9-2-10-5/h2H,1,7-8H2
InChIKeyCVESFKVKKBMRQG-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.17
Rot. Bonds1

About 4-(aminomethyl)-6-chloropyrimidin-5-amine

4-(aminomethyl)-6-chloropyrimidin-5-amine (PubChem CID 86601389) has the molecular formula C5H7ClN4 and a molecular weight of 158.59 g/mol. Its IUPAC name is 4-(aminomethyl)-6-chloropyrimidin-5-amine.

Molecular Properties

Compound Name4-(aminomethyl)-6-chloropyrimidin-5-amine
PubChem CID86601389
Molecular FormulaC5H7ClN4
Molecular Weight158.59 g/mol
Exact Mass158.04
IUPAC Name4-(aminomethyl)-6-chloropyrimidin-5-amine
SMILESNCc1ncnc(Cl)c1N
InChIInChI=1S/C5H7ClN4/c6-5-4(8)3(1-7)9-2-10-5/h2H,1,7-8H2
InChIKeyCVESFKVKKBMRQG-UHFFFAOYSA-N
XLogP0.17
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-chloropyrimidin-5-amine?
The IUPAC name of 4-(aminomethyl)-6-chloropyrimidin-5-amine (CID 86601389) is 4-(aminomethyl)-6-chloropyrimidin-5-amine.
What is the SMILES notation for 4-(aminomethyl)-6-chloropyrimidin-5-amine?
The canonical SMILES for 4-(aminomethyl)-6-chloropyrimidin-5-amine is NCc1ncnc(Cl)c1N.
What is the InChIKey of 4-(aminomethyl)-6-chloropyrimidin-5-amine?
The InChIKey is CVESFKVKKBMRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN4/c6-5-4(8)3(1-7)9-2-10-5/h2H,1,7-8H2.
What are the key properties of 4-(aminomethyl)-6-chloropyrimidin-5-amine?
4-(aminomethyl)-6-chloropyrimidin-5-amine has a molecular weight of 158.59 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-chloropyrimidin-5-amine is sourced from PubChem (CID 86601389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).