2-[[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C17H20N4OS — CID 71986430

IUPAC2-[[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc(C(C)(C)NCc2cc(=O)n3ccccc3n2)sc1C
InChIInChI=1S/C17H20N4OS/c1-11-12(2)23-16(19-11)17(3,4)18-10-13-9-15(22)21-8-6-5-7-14(21)20-13/h5-9,18H,10H2,1-4H3
InChIKeyATLUEZYYWNCUDT-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.79
Rot. Bonds4

About 2-[[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 71986430) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-[[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID71986430
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name2-[[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc(C(C)(C)NCc2cc(=O)n3ccccc3n2)sc1C
InChIInChI=1S/C17H20N4OS/c1-11-12(2)23-16(19-11)17(3,4)18-10-13-9-15(22)21-8-6-5-7-14(21)20-13/h5-9,18H,10H2,1-4H3
InChIKeyATLUEZYYWNCUDT-UHFFFAOYSA-N
XLogP2.79
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 71986430) is 2-[[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1nc(C(C)(C)NCc2cc(=O)n3ccccc3n2)sc1C.
What is the InChIKey of 2-[[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ATLUEZYYWNCUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-11-12(2)23-16(19-11)17(3,4)18-10-13-9-15(22)21-8-6-5-7-14(21)20-13/h5-9,18H,10H2,1-4H3.
What are the key properties of 2-[[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 328.44 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 71986430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).