7-(1-aminoethyl)-3-chloro-6-phenylimidazo[1,2-c]pyrimidin-5-one

C14H13ClN4O — CID 90026120

IUPAC7-(1-aminoethyl)-3-chloro-6-phenylimidazo[1,2-c]pyrimidin-5-one
SMILESCC(N)c1cc2ncc(Cl)n2c(=O)n1-c1ccccc1
InChIInChI=1S/C14H13ClN4O/c1-9(16)11-7-13-17-8-12(15)19(13)14(20)18(11)10-5-3-2-4-6-10/h2-9H,16H2,1H3
InChIKeyXKRBVXTYGLLXTR-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.16
Rot. Bonds2

About 7-(1-aminoethyl)-3-chloro-6-phenylimidazo[1,2-c]pyrimidin-5-one

7-(1-aminoethyl)-3-chloro-6-phenylimidazo[1,2-c]pyrimidin-5-one (PubChem CID 90026120) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 7-(1-aminoethyl)-3-chloro-6-phenylimidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name7-(1-aminoethyl)-3-chloro-6-phenylimidazo[1,2-c]pyrimidin-5-one
PubChem CID90026120
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name7-(1-aminoethyl)-3-chloro-6-phenylimidazo[1,2-c]pyrimidin-5-one
SMILESCC(N)c1cc2ncc(Cl)n2c(=O)n1-c1ccccc1
InChIInChI=1S/C14H13ClN4O/c1-9(16)11-7-13-17-8-12(15)19(13)14(20)18(11)10-5-3-2-4-6-10/h2-9H,16H2,1H3
InChIKeyXKRBVXTYGLLXTR-UHFFFAOYSA-N
XLogP2.16
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(1-aminoethyl)-3-chloro-6-phenylimidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 7-(1-aminoethyl)-3-chloro-6-phenylimidazo[1,2-c]pyrimidin-5-one (CID 90026120) is 7-(1-aminoethyl)-3-chloro-6-phenylimidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 7-(1-aminoethyl)-3-chloro-6-phenylimidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 7-(1-aminoethyl)-3-chloro-6-phenylimidazo[1,2-c]pyrimidin-5-one is CC(N)c1cc2ncc(Cl)n2c(=O)n1-c1ccccc1.
What is the InChIKey of 7-(1-aminoethyl)-3-chloro-6-phenylimidazo[1,2-c]pyrimidin-5-one?
The InChIKey is XKRBVXTYGLLXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-9(16)11-7-13-17-8-12(15)19(13)14(20)18(11)10-5-3-2-4-6-10/h2-9H,16H2,1H3.
What are the key properties of 7-(1-aminoethyl)-3-chloro-6-phenylimidazo[1,2-c]pyrimidin-5-one?
7-(1-aminoethyl)-3-chloro-6-phenylimidazo[1,2-c]pyrimidin-5-one has a molecular weight of 288.74 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-aminoethyl)-3-chloro-6-phenylimidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 90026120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).