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

C14H21N3O2S — CID 90572332

IUPACN-butyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCCCN(C)C(=O)C1CSc2ncc(C)c(=O)n2C1
InChIInChI=1S/C14H21N3O2S/c1-4-5-6-16(3)13(19)11-8-17-12(18)10(2)7-15-14(17)20-9-11/h7,11H,4-6,8-9H2,1-3H3
InChIKeyZXAPCBSUTWKYOX-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.53
Rot. Bonds4

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

N-butyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572332) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-butyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572332
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-butyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCCCN(C)C(=O)C1CSc2ncc(C)c(=O)n2C1
InChIInChI=1S/C14H21N3O2S/c1-4-5-6-16(3)13(19)11-8-17-12(18)10(2)7-15-14(17)20-9-11/h7,11H,4-6,8-9H2,1-3H3
InChIKeyZXAPCBSUTWKYOX-UHFFFAOYSA-N
XLogP1.53
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-butyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N-butyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572332) is N-butyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N-butyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N-butyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCCCN(C)C(=O)C1CSc2ncc(C)c(=O)n2C1.
What is the InChIKey of N-butyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is ZXAPCBSUTWKYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-4-5-6-16(3)13(19)11-8-17-12(18)10(2)7-15-14(17)20-9-11/h7,11H,4-6,8-9H2,1-3H3.
What are the key properties of N-butyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N-butyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).