N,N-dibutyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C17H27N3O2S — CID 90572329

IUPACN,N-dibutyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCCCN(CCCC)C(=O)C1CSc2ncc(C)c(=O)n2C1
InChIInChI=1S/C17H27N3O2S/c1-4-6-8-19(9-7-5-2)16(22)14-11-20-15(21)13(3)10-18-17(20)23-12-14/h10,14H,4-9,11-12H2,1-3H3
InChIKeyWCMFCRKLIVHVNX-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.70
Rot. Bonds7

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

N,N-dibutyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572329) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N,N-dibutyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572329
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN,N-dibutyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCCCN(CCCC)C(=O)C1CSc2ncc(C)c(=O)n2C1
InChIInChI=1S/C17H27N3O2S/c1-4-6-8-19(9-7-5-2)16(22)14-11-20-15(21)13(3)10-18-17(20)23-12-14/h10,14H,4-9,11-12H2,1-3H3
InChIKeyWCMFCRKLIVHVNX-UHFFFAOYSA-N
XLogP2.70
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N,N-dibutyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572329) is N,N-dibutyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N,N-dibutyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N,N-dibutyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCCCN(CCCC)C(=O)C1CSc2ncc(C)c(=O)n2C1.
What is the InChIKey of N,N-dibutyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is WCMFCRKLIVHVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-4-6-8-19(9-7-5-2)16(22)14-11-20-15(21)13(3)10-18-17(20)23-12-14/h10,14H,4-9,11-12H2,1-3H3.
What are the key properties of N,N-dibutyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N,N-dibutyl-7-methyl-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 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).