2-(2-chloropyrimidin-4-yl)-7-methyl-3-phenyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C20H17ClN4OS — CID 164606252

IUPAC2-(2-chloropyrimidin-4-yl)-7-methyl-3-phenyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sc(-c3ccnc(Cl)n3)c(-c3ccccc3)n2c(=O)c1C(C)C
InChIInChI=1S/C20H17ClN4OS/c1-11(2)15-12(3)23-20-25(18(15)26)16(13-7-5-4-6-8-13)17(27-20)14-9-10-22-19(21)24-14/h4-11H,1-3H3
InChIKeyCDTDXIXEDAIGJM-UHFFFAOYSA-N
MW396.90 g/mol
LogP4.97
Rot. Bonds3

About 2-(2-chloropyrimidin-4-yl)-7-methyl-3-phenyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

2-(2-chloropyrimidin-4-yl)-7-methyl-3-phenyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 164606252) has the molecular formula C20H17ClN4OS and a molecular weight of 396.90 g/mol. Its IUPAC name is 2-(2-chloropyrimidin-4-yl)-7-methyl-3-phenyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(2-chloropyrimidin-4-yl)-7-methyl-3-phenyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID164606252
Molecular FormulaC20H17ClN4OS
Molecular Weight396.90 g/mol
Exact Mass396.08
IUPAC Name2-(2-chloropyrimidin-4-yl)-7-methyl-3-phenyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sc(-c3ccnc(Cl)n3)c(-c3ccccc3)n2c(=O)c1C(C)C
InChIInChI=1S/C20H17ClN4OS/c1-11(2)15-12(3)23-20-25(18(15)26)16(13-7-5-4-6-8-13)17(27-20)14-9-10-22-19(21)24-14/h4-11H,1-3H3
InChIKeyCDTDXIXEDAIGJM-UHFFFAOYSA-N
XLogP4.97
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropyrimidin-4-yl)-7-methyl-3-phenyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-(2-chloropyrimidin-4-yl)-7-methyl-3-phenyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 164606252) is 2-(2-chloropyrimidin-4-yl)-7-methyl-3-phenyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(2-chloropyrimidin-4-yl)-7-methyl-3-phenyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(2-chloropyrimidin-4-yl)-7-methyl-3-phenyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2sc(-c3ccnc(Cl)n3)c(-c3ccccc3)n2c(=O)c1C(C)C.
What is the InChIKey of 2-(2-chloropyrimidin-4-yl)-7-methyl-3-phenyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is CDTDXIXEDAIGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4OS/c1-11(2)15-12(3)23-20-25(18(15)26)16(13-7-5-4-6-8-13)17(27-20)14-9-10-22-19(21)24-14/h4-11H,1-3H3.
What are the key properties of 2-(2-chloropyrimidin-4-yl)-7-methyl-3-phenyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
2-(2-chloropyrimidin-4-yl)-7-methyl-3-phenyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 396.90 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropyrimidin-4-yl)-7-methyl-3-phenyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 164606252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).