7-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C17H27N3O2S — CID 90572330

IUPAC7-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cnc2n(c1=O)CC(C(=O)N(CC(C)C)CC(C)C)CS2
InChIInChI=1S/C17H27N3O2S/c1-11(2)7-19(8-12(3)4)16(22)14-9-20-15(21)13(5)6-18-17(20)23-10-14/h6,11-12,14H,7-10H2,1-5H3
InChIKeyKIQUAOJAAGEJLL-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.41
Rot. Bonds5

About 7-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

7-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572330) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 7-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name7-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572330
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name7-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cnc2n(c1=O)CC(C(=O)N(CC(C)C)CC(C)C)CS2
InChIInChI=1S/C17H27N3O2S/c1-11(2)7-19(8-12(3)4)16(22)14-9-20-15(21)13(5)6-18-17(20)23-10-14/h6,11-12,14H,7-10H2,1-5H3
InChIKeyKIQUAOJAAGEJLL-UHFFFAOYSA-N
XLogP2.41
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 7-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572330) is 7-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for 7-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 7-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is Cc1cnc2n(c1=O)CC(C(=O)N(CC(C)C)CC(C)C)CS2.
What is the InChIKey of 7-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is KIQUAOJAAGEJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-11(2)7-19(8-12(3)4)16(22)14-9-20-15(21)13(5)6-18-17(20)23-10-14/h6,11-12,14H,7-10H2,1-5H3.
What are the key properties of 7-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
7-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).