6-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C14H18N6OS — CID 135965556

IUPAC6-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCc1nc(CN(C)Cc2nc3c(cnn3C)c(=O)[nH]2)cs1
InChIInChI=1S/C14H18N6OS/c1-4-12-16-9(8-22-12)6-19(2)7-11-17-13-10(14(21)18-11)5-15-20(13)3/h5,8H,4,6-7H2,1-3H3,(H,17,18,21)
InChIKeyFOHKSMGDHNWOLU-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.31
Rot. Bonds5

About 6-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135965556) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is 6-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135965556
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC Name6-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCc1nc(CN(C)Cc2nc3c(cnn3C)c(=O)[nH]2)cs1
InChIInChI=1S/C14H18N6OS/c1-4-12-16-9(8-22-12)6-19(2)7-11-17-13-10(14(21)18-11)5-15-20(13)3/h5,8H,4,6-7H2,1-3H3,(H,17,18,21)
InChIKeyFOHKSMGDHNWOLU-UHFFFAOYSA-N
XLogP1.31
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

1-isopropyl-N-({2-[(methylthio)methyl]-1,3-thiazol-4-yl}methyl)-1H-pyrazole-4-carboxamide
CID 70758223
3-Bromo-1-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 71995624
1-tert-butyl-6-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136020139
1-tert-butyl-6-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136258226
N-(1,3-thiazol-2-yl)3-(1-tert-butyl-4-oxo-1,2,5,7-tetraaza-1,4-dihydro-5H-inden-5-yl)propionamide
CID 16882079
3-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-(4-methylthiazol-2-yl)propanamide
CID 16882080
6-[(Diethylamino)methyl]-N-[(4-methyl-1,3-thiazol-2-YL)methyl]pyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 56750840
6-[(Diethylamino)methyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-YL)methyl]pyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 56756606
2-((1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
CID 135870112
1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 132381544
5-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-1H-pyrazole-4-carboxamide
CID 132388541
1-methyl-6-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137048560

Frequently Asked Questions

What is the IUPAC name of 6-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135965556) is 6-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCc1nc(CN(C)Cc2nc3c(cnn3C)c(=O)[nH]2)cs1.
What is the InChIKey of 6-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is FOHKSMGDHNWOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6OS/c1-4-12-16-9(8-22-12)6-19(2)7-11-17-13-10(14(21)18-11)5-15-20(13)3/h5,8H,4,6-7H2,1-3H3,(H,17,18,21).
What are the key properties of 6-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 318.41 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135965556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).