4-(2-aminoethyl)-6-chloropyrimidin-2-amine

C6H9ClN4 — CID 83851850

IUPAC4-(2-aminoethyl)-6-chloropyrimidin-2-amine
SMILESNCCc1cc(Cl)nc(N)n1
InChIInChI=1S/C6H9ClN4/c7-5-3-4(1-2-8)10-6(9)11-5/h3H,1-2,8H2,(H2,9,10,11)
InChIKeyXICFVFOABQLNBO-UHFFFAOYSA-N
MW172.62 g/mol
LogP0.21
Rot. Bonds2

About 4-(2-aminoethyl)-6-chloropyrimidin-2-amine

4-(2-aminoethyl)-6-chloropyrimidin-2-amine (PubChem CID 83851850) has the molecular formula C6H9ClN4 and a molecular weight of 172.62 g/mol. Its IUPAC name is 4-(2-aminoethyl)-6-chloropyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-6-chloropyrimidin-2-amine
PubChem CID83851850
Molecular FormulaC6H9ClN4
Molecular Weight172.62 g/mol
Exact Mass172.05
IUPAC Name4-(2-aminoethyl)-6-chloropyrimidin-2-amine
SMILESNCCc1cc(Cl)nc(N)n1
InChIInChI=1S/C6H9ClN4/c7-5-3-4(1-2-8)10-6(9)11-5/h3H,1-2,8H2,(H2,9,10,11)
InChIKeyXICFVFOABQLNBO-UHFFFAOYSA-N
XLogP0.21
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-6-chloropyrimidin-2-amine?
The IUPAC name of 4-(2-aminoethyl)-6-chloropyrimidin-2-amine (CID 83851850) is 4-(2-aminoethyl)-6-chloropyrimidin-2-amine.
What is the SMILES notation for 4-(2-aminoethyl)-6-chloropyrimidin-2-amine?
The canonical SMILES for 4-(2-aminoethyl)-6-chloropyrimidin-2-amine is NCCc1cc(Cl)nc(N)n1.
What is the InChIKey of 4-(2-aminoethyl)-6-chloropyrimidin-2-amine?
The InChIKey is XICFVFOABQLNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4/c7-5-3-4(1-2-8)10-6(9)11-5/h3H,1-2,8H2,(H2,9,10,11).
What are the key properties of 4-(2-aminoethyl)-6-chloropyrimidin-2-amine?
4-(2-aminoethyl)-6-chloropyrimidin-2-amine has a molecular weight of 172.62 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-6-chloropyrimidin-2-amine is sourced from PubChem (CID 83851850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).