2-methyl-7-(2-methylpropyl)-4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one

C19H26N6OS — CID 91961966

IUPAC2-methyl-7-(2-methylpropyl)-4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one
SMILESCc1nc(Nc2nc3c(s2)CC(C)CC3)c2c(n1)NC(CC(C)C)C(=O)N2
InChIInChI=1S/C19H26N6OS/c1-9(2)7-13-18(26)24-15-16(22-13)20-11(4)21-17(15)25-19-23-12-6-5-10(3)8-14(12)27-19/h9-10,13H,5-8H2,1-4H3,(H,24,26)(H2,20,21,22,23,25)
InChIKeyMKPFRWJJBORIFZ-UHFFFAOYSA-N
MW386.53 g/mol
LogP3.89
Rot. Bonds4

About 2-methyl-7-(2-methylpropyl)-4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one

2-methyl-7-(2-methylpropyl)-4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one (PubChem CID 91961966) has the molecular formula C19H26N6OS and a molecular weight of 386.53 g/mol. Its IUPAC name is 2-methyl-7-(2-methylpropyl)-4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one.

Molecular Properties

Compound Name2-methyl-7-(2-methylpropyl)-4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one
PubChem CID91961966
Molecular FormulaC19H26N6OS
Molecular Weight386.53 g/mol
Exact Mass386.19
IUPAC Name2-methyl-7-(2-methylpropyl)-4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one
SMILESCc1nc(Nc2nc3c(s2)CC(C)CC3)c2c(n1)NC(CC(C)C)C(=O)N2
InChIInChI=1S/C19H26N6OS/c1-9(2)7-13-18(26)24-15-16(22-13)20-11(4)21-17(15)25-19-23-12-6-5-10(3)8-14(12)27-19/h9-10,13H,5-8H2,1-4H3,(H,24,26)(H2,20,21,22,23,25)
InChIKeyMKPFRWJJBORIFZ-UHFFFAOYSA-N
XLogP3.89
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-methyl-7-(2-methylpropyl)-4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-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 2-methyl-7-(2-methylpropyl)-4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one?
The IUPAC name of 2-methyl-7-(2-methylpropyl)-4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one (CID 91961966) is 2-methyl-7-(2-methylpropyl)-4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one.
What is the SMILES notation for 2-methyl-7-(2-methylpropyl)-4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one?
The canonical SMILES for 2-methyl-7-(2-methylpropyl)-4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one is Cc1nc(Nc2nc3c(s2)CC(C)CC3)c2c(n1)NC(CC(C)C)C(=O)N2.
What is the InChIKey of 2-methyl-7-(2-methylpropyl)-4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one?
The InChIKey is MKPFRWJJBORIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6OS/c1-9(2)7-13-18(26)24-15-16(22-13)20-11(4)21-17(15)25-19-23-12-6-5-10(3)8-14(12)27-19/h9-10,13H,5-8H2,1-4H3,(H,24,26)(H2,20,21,22,23,25).
What are the key properties of 2-methyl-7-(2-methylpropyl)-4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one?
2-methyl-7-(2-methylpropyl)-4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one has a molecular weight of 386.53 g/mol, XLogP of 3.89, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(2-methylpropyl)-4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one is sourced from PubChem (CID 91961966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).