2-[[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C18H20N4OS — CID 71983360

IUPAC2-[[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1csc(C2(NCc3cc(=O)n4ccccc4n3)CCCC2)n1
InChIInChI=1S/C18H20N4OS/c1-13-12-24-17(20-13)18(7-3-4-8-18)19-11-14-10-16(23)22-9-5-2-6-15(22)21-14/h2,5-6,9-10,12,19H,3-4,7-8,11H2,1H3
InChIKeyOQVXNGIVMQTEOA-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.02
Rot. Bonds4

About 2-[[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 71983360) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID71983360
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name2-[[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1csc(C2(NCc3cc(=O)n4ccccc4n3)CCCC2)n1
InChIInChI=1S/C18H20N4OS/c1-13-12-24-17(20-13)18(7-3-4-8-18)19-11-14-10-16(23)22-9-5-2-6-15(22)21-14/h2,5-6,9-10,12,19H,3-4,7-8,11H2,1H3
InChIKeyOQVXNGIVMQTEOA-UHFFFAOYSA-N
XLogP3.02
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 71983360) is 2-[[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1csc(C2(NCc3cc(=O)n4ccccc4n3)CCCC2)n1.
What is the InChIKey of 2-[[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OQVXNGIVMQTEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-13-12-24-17(20-13)18(7-3-4-8-18)19-11-14-10-16(23)22-9-5-2-6-15(22)21-14/h2,5-6,9-10,12,19H,3-4,7-8,11H2,1H3.
What are the key properties of 2-[[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 340.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 71983360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).