N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-amine

C17H16N6S — CID 133308530

IUPACN-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1csc(CN(C)c2ncnc3c2cnn3-c2ccccc2)n1
InChIInChI=1S/C17H16N6S/c1-12-10-24-15(21-12)9-22(2)16-14-8-20-23(17(14)19-11-18-16)13-6-4-3-5-7-13/h3-8,10-11H,9H2,1-2H3
InChIKeyFVLKDUJPGYCGMS-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.22
Rot. Bonds4

About N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-amine

N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 133308530) has the molecular formula C17H16N6S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID133308530
Molecular FormulaC17H16N6S
Molecular Weight336.42 g/mol
Exact Mass336.12
IUPAC NameN-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1csc(CN(C)c2ncnc3c2cnn3-c2ccccc2)n1
InChIInChI=1S/C17H16N6S/c1-12-10-24-15(21-12)9-22(2)16-14-8-20-23(17(14)19-11-18-16)13-6-4-3-5-7-13/h3-8,10-11H,9H2,1-2H3
InChIKeyFVLKDUJPGYCGMS-UHFFFAOYSA-N
XLogP3.22
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-amine 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

N-(2-cyclopropylethyl)-N-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-amine
CID 133398554
N-methyl-1-phenyl-N-phenylmethoxypyrazolo[5,4-d]pyrimidin-4-amine
CID 133423276
N,N-dibenzyl-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 5189840
N-ethyl-1-phenyl-N-(3,3,3-trifluoropropyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 133279240
1-(4-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 25342698
N-methyl-1-(3-methylphenyl)-N-(2-pyridin-1-ium-2-ylethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 4048845
2-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol
CID 86774139
1-(3,5-dimethylphenyl)-N-ethyl-N-phenylpyrazolo[5,4-d]pyrimidin-4-amine
CID 17017634
2-methyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropan-2-amine
CID 64538208
4-(chloromethyl)-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-thiazol-2-amine
CID 108778534
N,N-diethyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 7205366
N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-amine (CID 133308530) is N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-amine is Cc1csc(CN(C)c2ncnc3c2cnn3-c2ccccc2)n1.
What is the InChIKey of N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is FVLKDUJPGYCGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6S/c1-12-10-24-15(21-12)9-22(2)16-14-8-20-23(17(14)19-11-18-16)13-6-4-3-5-7-13/h3-8,10-11H,9H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-amine?
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 336.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133308530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).