(7-chloro-2-ethylimidazo[1,2-c]pyrimidin-3-yl)-(4-methylphenyl)methanone

C16H14ClN3O — CID 139342538

IUPAC(7-chloro-2-ethylimidazo[1,2-c]pyrimidin-3-yl)-(4-methylphenyl)methanone
SMILESCCc1nc2cc(Cl)ncn2c1C(=O)c1ccc(C)cc1
InChIInChI=1S/C16H14ClN3O/c1-3-12-15(16(21)11-6-4-10(2)5-7-11)20-9-18-13(17)8-14(20)19-12/h4-9H,3H2,1-2H3
InChIKeyWAKXFKMKTXPISD-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.48
Rot. Bonds3

About (7-chloro-2-ethylimidazo[1,2-c]pyrimidin-3-yl)-(4-methylphenyl)methanone

(7-chloro-2-ethylimidazo[1,2-c]pyrimidin-3-yl)-(4-methylphenyl)methanone (PubChem CID 139342538) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is (7-chloro-2-ethylimidazo[1,2-c]pyrimidin-3-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(7-chloro-2-ethylimidazo[1,2-c]pyrimidin-3-yl)-(4-methylphenyl)methanone
PubChem CID139342538
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name(7-chloro-2-ethylimidazo[1,2-c]pyrimidin-3-yl)-(4-methylphenyl)methanone
SMILESCCc1nc2cc(Cl)ncn2c1C(=O)c1ccc(C)cc1
InChIInChI=1S/C16H14ClN3O/c1-3-12-15(16(21)11-6-4-10(2)5-7-11)20-9-18-13(17)8-14(20)19-12/h4-9H,3H2,1-2H3
InChIKeyWAKXFKMKTXPISD-UHFFFAOYSA-N
XLogP3.48
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-2-ethylimidazo[1,2-c]pyrimidin-3-yl)-(4-methylphenyl)methanone?
The IUPAC name of (7-chloro-2-ethylimidazo[1,2-c]pyrimidin-3-yl)-(4-methylphenyl)methanone (CID 139342538) is (7-chloro-2-ethylimidazo[1,2-c]pyrimidin-3-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (7-chloro-2-ethylimidazo[1,2-c]pyrimidin-3-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (7-chloro-2-ethylimidazo[1,2-c]pyrimidin-3-yl)-(4-methylphenyl)methanone is CCc1nc2cc(Cl)ncn2c1C(=O)c1ccc(C)cc1.
What is the InChIKey of (7-chloro-2-ethylimidazo[1,2-c]pyrimidin-3-yl)-(4-methylphenyl)methanone?
The InChIKey is WAKXFKMKTXPISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-3-12-15(16(21)11-6-4-10(2)5-7-11)20-9-18-13(17)8-14(20)19-12/h4-9H,3H2,1-2H3.
What are the key properties of (7-chloro-2-ethylimidazo[1,2-c]pyrimidin-3-yl)-(4-methylphenyl)methanone?
(7-chloro-2-ethylimidazo[1,2-c]pyrimidin-3-yl)-(4-methylphenyl)methanone has a molecular weight of 299.76 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-2-ethylimidazo[1,2-c]pyrimidin-3-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 139342538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).