1-(4-chloropyrimidin-2-yl)propan-1-amine

C7H10ClN3 — CID 87642451

IUPAC1-(4-chloropyrimidin-2-yl)propan-1-amine
SMILESCCC(N)c1nccc(Cl)n1
InChIInChI=1S/C7H10ClN3/c1-2-5(9)7-10-4-3-6(8)11-7/h3-5H,2,9H2,1H3
InChIKeyBLEUTYHULLDMHC-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.54
Rot. Bonds2

About 1-(4-chloropyrimidin-2-yl)propan-1-amine

1-(4-chloropyrimidin-2-yl)propan-1-amine (PubChem CID 87642451) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is 1-(4-chloropyrimidin-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-chloropyrimidin-2-yl)propan-1-amine
PubChem CID87642451
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name1-(4-chloropyrimidin-2-yl)propan-1-amine
SMILESCCC(N)c1nccc(Cl)n1
InChIInChI=1S/C7H10ClN3/c1-2-5(9)7-10-4-3-6(8)11-7/h3-5H,2,9H2,1H3
InChIKeyBLEUTYHULLDMHC-UHFFFAOYSA-N
XLogP1.54
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloropyrimidin-2-yl)propan-1-amine?
The IUPAC name of 1-(4-chloropyrimidin-2-yl)propan-1-amine (CID 87642451) is 1-(4-chloropyrimidin-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-chloropyrimidin-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-chloropyrimidin-2-yl)propan-1-amine is CCC(N)c1nccc(Cl)n1.
What is the InChIKey of 1-(4-chloropyrimidin-2-yl)propan-1-amine?
The InChIKey is BLEUTYHULLDMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3/c1-2-5(9)7-10-4-3-6(8)11-7/h3-5H,2,9H2,1H3.
What are the key properties of 1-(4-chloropyrimidin-2-yl)propan-1-amine?
1-(4-chloropyrimidin-2-yl)propan-1-amine has a molecular weight of 171.63 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloropyrimidin-2-yl)propan-1-amine is sourced from PubChem (CID 87642451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).