5-(3-aminoprop-1-enyl)-2-chloropyrimidin-4-amine

C7H9ClN4 — CID 169463378

IUPAC5-(3-aminoprop-1-enyl)-2-chloropyrimidin-4-amine
SMILESNCC=Cc1cnc(Cl)nc1N
InChIInChI=1S/C7H9ClN4/c8-7-11-4-5(2-1-3-9)6(10)12-7/h1-2,4H,3,9H2,(H2,10,11,12)
InChIKeyNWYOLOVWODPFMY-UHFFFAOYSA-N
MW184.63 g/mol
LogP0.68
Rot. Bonds2

About 5-(3-aminoprop-1-enyl)-2-chloropyrimidin-4-amine

5-(3-aminoprop-1-enyl)-2-chloropyrimidin-4-amine (PubChem CID 169463378) has the molecular formula C7H9ClN4 and a molecular weight of 184.63 g/mol. Its IUPAC name is 5-(3-aminoprop-1-enyl)-2-chloropyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-aminoprop-1-enyl)-2-chloropyrimidin-4-amine
PubChem CID169463378
Molecular FormulaC7H9ClN4
Molecular Weight184.63 g/mol
Exact Mass184.05
IUPAC Name5-(3-aminoprop-1-enyl)-2-chloropyrimidin-4-amine
SMILESNCC=Cc1cnc(Cl)nc1N
InChIInChI=1S/C7H9ClN4/c8-7-11-4-5(2-1-3-9)6(10)12-7/h1-2,4H,3,9H2,(H2,10,11,12)
InChIKeyNWYOLOVWODPFMY-UHFFFAOYSA-N
XLogP0.68
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-enyl)-2-chloropyrimidin-4-amine?
The IUPAC name of 5-(3-aminoprop-1-enyl)-2-chloropyrimidin-4-amine (CID 169463378) is 5-(3-aminoprop-1-enyl)-2-chloropyrimidin-4-amine.
What is the SMILES notation for 5-(3-aminoprop-1-enyl)-2-chloropyrimidin-4-amine?
The canonical SMILES for 5-(3-aminoprop-1-enyl)-2-chloropyrimidin-4-amine is NCC=Cc1cnc(Cl)nc1N.
What is the InChIKey of 5-(3-aminoprop-1-enyl)-2-chloropyrimidin-4-amine?
The InChIKey is NWYOLOVWODPFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4/c8-7-11-4-5(2-1-3-9)6(10)12-7/h1-2,4H,3,9H2,(H2,10,11,12).
What are the key properties of 5-(3-aminoprop-1-enyl)-2-chloropyrimidin-4-amine?
5-(3-aminoprop-1-enyl)-2-chloropyrimidin-4-amine has a molecular weight of 184.63 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-enyl)-2-chloropyrimidin-4-amine is sourced from PubChem (CID 169463378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).