4-(1-aminopropyl)-6-chloropyrimidin-5-amine

C7H11ClN4 — CID 87616263

IUPAC4-(1-aminopropyl)-6-chloropyrimidin-5-amine
SMILESCCC(N)c1ncnc(Cl)c1N
InChIInChI=1S/C7H11ClN4/c1-2-4(9)6-5(10)7(8)12-3-11-6/h3-4H,2,9-10H2,1H3
InChIKeyOQJGXIVXIRRTPH-UHFFFAOYSA-N
MW186.65 g/mol
LogP1.12
Rot. Bonds2

About 4-(1-aminopropyl)-6-chloropyrimidin-5-amine

4-(1-aminopropyl)-6-chloropyrimidin-5-amine (PubChem CID 87616263) has the molecular formula C7H11ClN4 and a molecular weight of 186.65 g/mol. Its IUPAC name is 4-(1-aminopropyl)-6-chloropyrimidin-5-amine.

Molecular Properties

Compound Name4-(1-aminopropyl)-6-chloropyrimidin-5-amine
PubChem CID87616263
Molecular FormulaC7H11ClN4
Molecular Weight186.65 g/mol
Exact Mass186.07
IUPAC Name4-(1-aminopropyl)-6-chloropyrimidin-5-amine
SMILESCCC(N)c1ncnc(Cl)c1N
InChIInChI=1S/C7H11ClN4/c1-2-4(9)6-5(10)7(8)12-3-11-6/h3-4H,2,9-10H2,1H3
InChIKeyOQJGXIVXIRRTPH-UHFFFAOYSA-N
XLogP1.12
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.65
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropyl)-6-chloropyrimidin-5-amine?
The IUPAC name of 4-(1-aminopropyl)-6-chloropyrimidin-5-amine (CID 87616263) is 4-(1-aminopropyl)-6-chloropyrimidin-5-amine.
What is the SMILES notation for 4-(1-aminopropyl)-6-chloropyrimidin-5-amine?
The canonical SMILES for 4-(1-aminopropyl)-6-chloropyrimidin-5-amine is CCC(N)c1ncnc(Cl)c1N.
What is the InChIKey of 4-(1-aminopropyl)-6-chloropyrimidin-5-amine?
The InChIKey is OQJGXIVXIRRTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4/c1-2-4(9)6-5(10)7(8)12-3-11-6/h3-4H,2,9-10H2,1H3.
What are the key properties of 4-(1-aminopropyl)-6-chloropyrimidin-5-amine?
4-(1-aminopropyl)-6-chloropyrimidin-5-amine has a molecular weight of 186.65 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropyl)-6-chloropyrimidin-5-amine is sourced from PubChem (CID 87616263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).