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

C12H14N6S — CID 104576315

IUPAC1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(CNc1ncnc2c1cnn2C)c1nccs1
InChIInChI=1S/C12H14N6S/c1-8(12-13-3-4-19-12)5-14-10-9-6-17-18(2)11(9)16-7-15-10/h3-4,6-8H,5H2,1-2H3,(H,14,15,16)
InChIKeyYIZYLKJJZXAYPF-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.04
Rot. Bonds4

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

1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 104576315) has the molecular formula C12H14N6S and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID104576315
Molecular FormulaC12H14N6S
Molecular Weight274.35 g/mol
Exact Mass274.10
IUPAC Name1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(CNc1ncnc2c1cnn2C)c1nccs1
InChIInChI=1S/C12H14N6S/c1-8(12-13-3-4-19-12)5-14-10-9-6-17-18(2)11(9)16-7-15-10/h3-4,6-8H,5H2,1-2H3,(H,14,15,16)
InChIKeyYIZYLKJJZXAYPF-UHFFFAOYSA-N
XLogP2.04
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 79099379
N-[2-(1,3-thiazol-2-yl)propyl]thieno[3,2-d]pyrimidin-4-amine
CID 104577253
1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 111118297
3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pentanoic acid
CID 81065375
6-N-methyl-5-nitro-4-N-[2-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 104577302
(1R)-N,N-dimethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1-thiophen-3-ylethane-1,2-diamine
CID 34004018
N-(2-chloro-2-phenylethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 65027355
6-chloro-5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 114128802
1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 42886101
(1R)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 38006236
(1S)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 38006229
1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 78962999

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 104576315) is 1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine is CC(CNc1ncnc2c1cnn2C)c1nccs1.
What is the InChIKey of 1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YIZYLKJJZXAYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6S/c1-8(12-13-3-4-19-12)5-14-10-9-6-17-18(2)11(9)16-7-15-10/h3-4,6-8H,5H2,1-2H3,(H,14,15,16).
What are the key properties of 1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 274.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 104576315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).