(15R)-15-methyl-5-pyrimidin-5-yl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one

C19H15N5OS — CID 45270159

IUPAC(15R)-15-methyl-5-pyrimidin-5-yl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one
SMILESC[C@@H]1CNc2c(sc3ccc4nc(-c5cncnc5)ccc4c23)C(=O)N1
InChIInChI=1S/C19H15N5OS/c1-10-6-22-17-16-12-2-3-13(11-7-20-9-21-8-11)24-14(12)4-5-15(16)26-18(17)19(25)23-10/h2-5,7-10,22H,6H2,1H3,(H,23,25)/t10-/m1/s1
InChIKeyBOGPCCOCPGCUAT-SNVBAGLBSA-N
MW361.43 g/mol
LogP3.45
Rot. Bonds1

About (15R)-15-methyl-5-pyrimidin-5-yl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one

(15R)-15-methyl-5-pyrimidin-5-yl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one (PubChem CID 45270159) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is (15R)-15-methyl-5-pyrimidin-5-yl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one.

Molecular Properties

Compound Name(15R)-15-methyl-5-pyrimidin-5-yl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one
PubChem CID45270159
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC Name(15R)-15-methyl-5-pyrimidin-5-yl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one
SMILESC[C@@H]1CNc2c(sc3ccc4nc(-c5cncnc5)ccc4c23)C(=O)N1
InChIInChI=1S/C19H15N5OS/c1-10-6-22-17-16-12-2-3-13(11-7-20-9-21-8-11)24-14(12)4-5-15(16)26-18(17)19(25)23-10/h2-5,7-10,22H,6H2,1H3,(H,23,25)/t10-/m1/s1
InChIKeyBOGPCCOCPGCUAT-SNVBAGLBSA-N
XLogP3.45
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (15R)-15-methyl-5-pyrimidin-5-yl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one 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 (15R)-15-methyl-5-pyrimidin-5-yl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one?
The IUPAC name of (15R)-15-methyl-5-pyrimidin-5-yl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one (CID 45270159) is (15R)-15-methyl-5-pyrimidin-5-yl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one.
What is the SMILES notation for (15R)-15-methyl-5-pyrimidin-5-yl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one?
The canonical SMILES for (15R)-15-methyl-5-pyrimidin-5-yl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one is C[C@@H]1CNc2c(sc3ccc4nc(-c5cncnc5)ccc4c23)C(=O)N1.
What is the InChIKey of (15R)-15-methyl-5-pyrimidin-5-yl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one?
The InChIKey is BOGPCCOCPGCUAT-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H15N5OS/c1-10-6-22-17-16-12-2-3-13(11-7-20-9-21-8-11)24-14(12)4-5-15(16)26-18(17)19(25)23-10/h2-5,7-10,22H,6H2,1H3,(H,23,25)/t10-/m1/s1.
What are the key properties of (15R)-15-methyl-5-pyrimidin-5-yl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one?
(15R)-15-methyl-5-pyrimidin-5-yl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one has a molecular weight of 361.43 g/mol, XLogP of 3.45, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (15R)-15-methyl-5-pyrimidin-5-yl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one is sourced from PubChem (CID 45270159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).