2-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C18H23N3O — CID 51655638

IUPAC2-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN(C3CC3)[C@@H](C)C3CC3)cc(=O)n2c1
InChIInChI=1S/C18H23N3O/c1-12-3-8-17-19-15(9-18(22)21(17)10-12)11-20(16-6-7-16)13(2)14-4-5-14/h3,8-10,13-14,16H,4-7,11H2,1-2H3/t13-/m0/s1
InChIKeyMSUHECUYRBXXHQ-ZDUSSCGKSA-N
MW297.40 g/mol
LogP2.77
Rot. Bonds5

About 2-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 51655638) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID51655638
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN(C3CC3)[C@@H](C)C3CC3)cc(=O)n2c1
InChIInChI=1S/C18H23N3O/c1-12-3-8-17-19-15(9-18(22)21(17)10-12)11-20(16-6-7-16)13(2)14-4-5-14/h3,8-10,13-14,16H,4-7,11H2,1-2H3/t13-/m0/s1
InChIKeyMSUHECUYRBXXHQ-ZDUSSCGKSA-N
XLogP2.77
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 51655638) is 2-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN(C3CC3)[C@@H](C)C3CC3)cc(=O)n2c1.
What is the InChIKey of 2-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MSUHECUYRBXXHQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12-3-8-17-19-15(9-18(22)21(17)10-12)11-20(16-6-7-16)13(2)14-4-5-14/h3,8-10,13-14,16H,4-7,11H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 297.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 51655638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).