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

C12H15N3O2S — CID 97041318

IUPAC(3R)-N-cyclopropyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cnc2n(c1=O)C[C@H](C(=O)NC1CC1)CS2
InChIInChI=1S/C12H15N3O2S/c1-7-4-13-12-15(11(7)17)5-8(6-18-12)10(16)14-9-2-3-9/h4,8-9H,2-3,5-6H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyZXCOIXROERPUJD-QMMMGPOBSA-N
MW265.34 g/mol
LogP0.55
Rot. Bonds2

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

(3R)-N-cyclopropyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 97041318) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopropyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID97041318
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name(3R)-N-cyclopropyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cnc2n(c1=O)C[C@H](C(=O)NC1CC1)CS2
InChIInChI=1S/C12H15N3O2S/c1-7-4-13-12-15(11(7)17)5-8(6-18-12)10(16)14-9-2-3-9/h4,8-9H,2-3,5-6H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyZXCOIXROERPUJD-QMMMGPOBSA-N
XLogP0.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-cyclopropyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-7-methyl-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 71802291
7-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572614
N-cyclopropyl-2-(6-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868185
N-cyclopropyl-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248321
N-cyclopropyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470509
6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide
CID 126647231
2-ethylsulfanyl-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 16037878
N-cyclopropyl-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 51530488
N-cyclopropyl-2-[(3S)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 51530489
N-(1-methoxypropan-2-yl)-7-methyl-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 71802267
N,N,7-trimethyl-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572325
N,N-diethyl-7-methyl-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572326

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopropyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopropyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 97041318) is (3R)-N-cyclopropyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopropyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopropyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is Cc1cnc2n(c1=O)C[C@H](C(=O)NC1CC1)CS2.
What is the InChIKey of (3R)-N-cyclopropyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is ZXCOIXROERPUJD-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-7-4-13-12-15(11(7)17)5-8(6-18-12)10(16)14-9-2-3-9/h4,8-9H,2-3,5-6H2,1H3,(H,14,16)/t8-/m0/s1.
What are the key properties of (3R)-N-cyclopropyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
(3R)-N-cyclopropyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopropyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 97041318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).