2-[(4-chlorophenoxy)methyl]-8-(6-methoxy-3-pyridinyl)-6-methylimidazo[1,2-c]pyrimidin-5-one

C20H17ClN4O3 — CID 134807379

IUPAC2-[(4-chlorophenoxy)methyl]-8-(6-methoxy-3-pyridinyl)-6-methylimidazo[1,2-c]pyrimidin-5-one
SMILESCOc1ccc(-c2cn(C)c(=O)n3cc(COc4ccc(Cl)cc4)nc23)cn1
InChIInChI=1S/C20H17ClN4O3/c1-24-11-17(13-3-8-18(27-2)22-9-13)19-23-15(10-25(19)20(24)26)12-28-16-6-4-14(21)5-7-16/h3-11H,12H2,1-2H3
InChIKeyIMXVMYNGMROCML-UHFFFAOYSA-N
MW396.83 g/mol
LogP3.34
Rot. Bonds5

About 2-[(4-chlorophenoxy)methyl]-8-(6-methoxy-3-pyridinyl)-6-methylimidazo[1,2-c]pyrimidin-5-one

2-[(4-chlorophenoxy)methyl]-8-(6-methoxy-3-pyridinyl)-6-methylimidazo[1,2-c]pyrimidin-5-one (PubChem CID 134807379) has the molecular formula C20H17ClN4O3 and a molecular weight of 396.83 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-8-(6-methoxy-3-pyridinyl)-6-methylimidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-8-(6-methoxy-3-pyridinyl)-6-methylimidazo[1,2-c]pyrimidin-5-one
PubChem CID134807379
Molecular FormulaC20H17ClN4O3
Molecular Weight396.83 g/mol
Exact Mass396.10
IUPAC Name2-[(4-chlorophenoxy)methyl]-8-(6-methoxy-3-pyridinyl)-6-methylimidazo[1,2-c]pyrimidin-5-one
SMILESCOc1ccc(-c2cn(C)c(=O)n3cc(COc4ccc(Cl)cc4)nc23)cn1
InChIInChI=1S/C20H17ClN4O3/c1-24-11-17(13-3-8-18(27-2)22-9-13)19-23-15(10-25(19)20(24)26)12-28-16-6-4-14(21)5-7-16/h3-11H,12H2,1-2H3
InChIKeyIMXVMYNGMROCML-UHFFFAOYSA-N
XLogP3.34
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-8-(6-methoxy-3-pyridinyl)-6-methylimidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-8-(6-methoxy-3-pyridinyl)-6-methylimidazo[1,2-c]pyrimidin-5-one (CID 134807379) is 2-[(4-chlorophenoxy)methyl]-8-(6-methoxy-3-pyridinyl)-6-methylimidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-8-(6-methoxy-3-pyridinyl)-6-methylimidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-8-(6-methoxy-3-pyridinyl)-6-methylimidazo[1,2-c]pyrimidin-5-one is COc1ccc(-c2cn(C)c(=O)n3cc(COc4ccc(Cl)cc4)nc23)cn1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-8-(6-methoxy-3-pyridinyl)-6-methylimidazo[1,2-c]pyrimidin-5-one?
The InChIKey is IMXVMYNGMROCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O3/c1-24-11-17(13-3-8-18(27-2)22-9-13)19-23-15(10-25(19)20(24)26)12-28-16-6-4-14(21)5-7-16/h3-11H,12H2,1-2H3.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-8-(6-methoxy-3-pyridinyl)-6-methylimidazo[1,2-c]pyrimidin-5-one?
2-[(4-chlorophenoxy)methyl]-8-(6-methoxy-3-pyridinyl)-6-methylimidazo[1,2-c]pyrimidin-5-one has a molecular weight of 396.83 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-8-(6-methoxy-3-pyridinyl)-6-methylimidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 134807379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).