7-ethyl-8-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C19H24N6O2S — CID 71802385

IUPAC7-ethyl-8-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCc1c(C)nc2n(c1=O)CC(C(=O)N1CCN(c3ncccn3)CC1)CS2
InChIInChI=1S/C19H24N6O2S/c1-3-15-13(2)22-19-25(17(15)27)11-14(12-28-19)16(26)23-7-9-24(10-8-23)18-20-5-4-6-21-18/h4-6,14H,3,7-12H2,1-2H3
InChIKeyZIWZBZJLHSQCCN-UHFFFAOYSA-N
MW400.51 g/mol
LogP0.97
Rot. Bonds3

About 7-ethyl-8-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

7-ethyl-8-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 71802385) has the molecular formula C19H24N6O2S and a molecular weight of 400.51 g/mol. Its IUPAC name is 7-ethyl-8-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name7-ethyl-8-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID71802385
Molecular FormulaC19H24N6O2S
Molecular Weight400.51 g/mol
Exact Mass400.17
IUPAC Name7-ethyl-8-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCc1c(C)nc2n(c1=O)CC(C(=O)N1CCN(c3ncccn3)CC1)CS2
InChIInChI=1S/C19H24N6O2S/c1-3-15-13(2)22-19-25(17(15)27)11-14(12-28-19)16(26)23-7-9-24(10-8-23)18-20-5-4-6-21-18/h4-6,14H,3,7-12H2,1-2H3
InChIKeyZIWZBZJLHSQCCN-UHFFFAOYSA-N
XLogP0.97
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-ethyl-8-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl (3R)-1-[(3S)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl]piperidine-3-carboxylate
CID 97105567
7-ethyl-N-methoxy-N,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 71802399
N-(3-chlorophenyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573140
3-(4-ethylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 90573380
(4S)-1-(2-methylpropyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 36982278
(1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855027
(4-pyrimidin-2-ylpiperazin-1-yl)-(thiolan-3-yl)methanone
CID 110854975
(4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9242636
(4-pyrimidin-2-ylpiperazin-1-yl)-(thian-3-yl)methanone
CID 110855029
1-[(3S)-3-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)piperidin-1-yl]propan-1-one
CID 97203838
(5-ethylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17249502
7-methyl-3-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 90572352

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 7-ethyl-8-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 71802385) is 7-ethyl-8-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 7-ethyl-8-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 7-ethyl-8-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is CCc1c(C)nc2n(c1=O)CC(C(=O)N1CCN(c3ncccn3)CC1)CS2.
What is the InChIKey of 7-ethyl-8-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is ZIWZBZJLHSQCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2S/c1-3-15-13(2)22-19-25(17(15)27)11-14(12-28-19)16(26)23-7-9-24(10-8-23)18-20-5-4-6-21-18/h4-6,14H,3,7-12H2,1-2H3.
What are the key properties of 7-ethyl-8-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
7-ethyl-8-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 400.51 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 71802385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).