6-cyclopropyl-1-(methylamino)-4-phenylpyrido[1,2-c]pyrimidin-3-one

C18H17N3O — CID 170090355

IUPAC6-cyclopropyl-1-(methylamino)-4-phenylpyrido[1,2-c]pyrimidin-3-one
SMILESCNc1nc(=O)c(-c2ccccc2)c2cc(C3CC3)ccn12
InChIInChI=1S/C18H17N3O/c1-19-18-20-17(22)16(13-5-3-2-4-6-13)15-11-14(12-7-8-12)9-10-21(15)18/h2-6,9-12H,7-8H2,1H3,(H,19,20,22)
InChIKeyOSTJHTUSVTVBTN-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.28
Rot. Bonds3

About 6-cyclopropyl-1-(methylamino)-4-phenylpyrido[1,2-c]pyrimidin-3-one

6-cyclopropyl-1-(methylamino)-4-phenylpyrido[1,2-c]pyrimidin-3-one (PubChem CID 170090355) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-cyclopropyl-1-(methylamino)-4-phenylpyrido[1,2-c]pyrimidin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-1-(methylamino)-4-phenylpyrido[1,2-c]pyrimidin-3-one
PubChem CID170090355
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name6-cyclopropyl-1-(methylamino)-4-phenylpyrido[1,2-c]pyrimidin-3-one
SMILESCNc1nc(=O)c(-c2ccccc2)c2cc(C3CC3)ccn12
InChIInChI=1S/C18H17N3O/c1-19-18-20-17(22)16(13-5-3-2-4-6-13)15-11-14(12-7-8-12)9-10-21(15)18/h2-6,9-12H,7-8H2,1H3,(H,19,20,22)
InChIKeyOSTJHTUSVTVBTN-UHFFFAOYSA-N
XLogP3.28
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-(methylamino)-4-phenylpyrido[1,2-c]pyrimidin-3-one?
The IUPAC name of 6-cyclopropyl-1-(methylamino)-4-phenylpyrido[1,2-c]pyrimidin-3-one (CID 170090355) is 6-cyclopropyl-1-(methylamino)-4-phenylpyrido[1,2-c]pyrimidin-3-one.
What is the SMILES notation for 6-cyclopropyl-1-(methylamino)-4-phenylpyrido[1,2-c]pyrimidin-3-one?
The canonical SMILES for 6-cyclopropyl-1-(methylamino)-4-phenylpyrido[1,2-c]pyrimidin-3-one is CNc1nc(=O)c(-c2ccccc2)c2cc(C3CC3)ccn12.
What is the InChIKey of 6-cyclopropyl-1-(methylamino)-4-phenylpyrido[1,2-c]pyrimidin-3-one?
The InChIKey is OSTJHTUSVTVBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-19-18-20-17(22)16(13-5-3-2-4-6-13)15-11-14(12-7-8-12)9-10-21(15)18/h2-6,9-12H,7-8H2,1H3,(H,19,20,22).
What are the key properties of 6-cyclopropyl-1-(methylamino)-4-phenylpyrido[1,2-c]pyrimidin-3-one?
6-cyclopropyl-1-(methylamino)-4-phenylpyrido[1,2-c]pyrimidin-3-one has a molecular weight of 291.35 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-(methylamino)-4-phenylpyrido[1,2-c]pyrimidin-3-one is sourced from PubChem (CID 170090355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).