7-(aminomethyl)-8-(4-cyclopropylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C17H19N3OS — CID 166989982

IUPAC7-(aminomethyl)-8-(4-cyclopropylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESNCc1c(-c2ccc(C3CC3)cc2)nc2n(c1=O)CCCS2
InChIInChI=1S/C17H19N3OS/c18-10-14-15(13-6-4-12(5-7-13)11-2-3-11)19-17-20(16(14)21)8-1-9-22-17/h4-7,11H,1-3,8-10,18H2
InChIKeyOQIJAGRCHHMAHT-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.74
Rot. Bonds3

About 7-(aminomethyl)-8-(4-cyclopropylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

7-(aminomethyl)-8-(4-cyclopropylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 166989982) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 7-(aminomethyl)-8-(4-cyclopropylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name7-(aminomethyl)-8-(4-cyclopropylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID166989982
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name7-(aminomethyl)-8-(4-cyclopropylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESNCc1c(-c2ccc(C3CC3)cc2)nc2n(c1=O)CCCS2
InChIInChI=1S/C17H19N3OS/c18-10-14-15(13-6-4-12(5-7-13)11-2-3-11)19-17-20(16(14)21)8-1-9-22-17/h4-7,11H,1-3,8-10,18H2
InChIKeyOQIJAGRCHHMAHT-UHFFFAOYSA-N
XLogP2.74
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-8-(4-cyclopropylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 7-(aminomethyl)-8-(4-cyclopropylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 166989982) is 7-(aminomethyl)-8-(4-cyclopropylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 7-(aminomethyl)-8-(4-cyclopropylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 7-(aminomethyl)-8-(4-cyclopropylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is NCc1c(-c2ccc(C3CC3)cc2)nc2n(c1=O)CCCS2.
What is the InChIKey of 7-(aminomethyl)-8-(4-cyclopropylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is OQIJAGRCHHMAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c18-10-14-15(13-6-4-12(5-7-13)11-2-3-11)19-17-20(16(14)21)8-1-9-22-17/h4-7,11H,1-3,8-10,18H2.
What are the key properties of 7-(aminomethyl)-8-(4-cyclopropylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
7-(aminomethyl)-8-(4-cyclopropylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 313.43 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-8-(4-cyclopropylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 166989982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).