[6-(cyclopropylmethyl)-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl]-phenylmethanone

C19H19N3O2 — CID 13301037

IUPAC[6-(cyclopropylmethyl)-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl]-phenylmethanone
SMILESCOc1nc2nc(C(=O)c3ccccc3)cn2c(C)c1CC1CC1
InChIInChI=1S/C19H19N3O2/c1-12-15(10-13-8-9-13)18(24-2)21-19-20-16(11-22(12)19)17(23)14-6-4-3-5-7-14/h3-7,11,13H,8-10H2,1-2H3
InChIKeyLXKHYUGJDHARKT-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.23
Rot. Bonds5

About [6-(cyclopropylmethyl)-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl]-phenylmethanone

[6-(cyclopropylmethyl)-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl]-phenylmethanone (PubChem CID 13301037) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is [6-(cyclopropylmethyl)-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[6-(cyclopropylmethyl)-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl]-phenylmethanone
PubChem CID13301037
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name[6-(cyclopropylmethyl)-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl]-phenylmethanone
SMILESCOc1nc2nc(C(=O)c3ccccc3)cn2c(C)c1CC1CC1
InChIInChI=1S/C19H19N3O2/c1-12-15(10-13-8-9-13)18(24-2)21-19-20-16(11-22(12)19)17(23)14-6-4-3-5-7-14/h3-7,11,13H,8-10H2,1-2H3
InChIKeyLXKHYUGJDHARKT-UHFFFAOYSA-N
XLogP3.23
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(cyclopropylmethyl)-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl]-phenylmethanone?
The IUPAC name of [6-(cyclopropylmethyl)-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl]-phenylmethanone (CID 13301037) is [6-(cyclopropylmethyl)-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl]-phenylmethanone.
What is the SMILES notation for [6-(cyclopropylmethyl)-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl]-phenylmethanone?
The canonical SMILES for [6-(cyclopropylmethyl)-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl]-phenylmethanone is COc1nc2nc(C(=O)c3ccccc3)cn2c(C)c1CC1CC1.
What is the InChIKey of [6-(cyclopropylmethyl)-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl]-phenylmethanone?
The InChIKey is LXKHYUGJDHARKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-15(10-13-8-9-13)18(24-2)21-19-20-16(11-22(12)19)17(23)14-6-4-3-5-7-14/h3-7,11,13H,8-10H2,1-2H3.
What are the key properties of [6-(cyclopropylmethyl)-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl]-phenylmethanone?
[6-(cyclopropylmethyl)-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl]-phenylmethanone has a molecular weight of 321.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclopropylmethyl)-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl]-phenylmethanone is sourced from PubChem (CID 13301037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).