N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine

C13H14ClN5S — CID 63220285

IUPACN-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
SMILESCN(Cc1nc(Cl)c2cnn(C)c2n1)Cc1cccs1
InChIInChI=1S/C13H14ClN5S/c1-18(7-9-4-3-5-20-9)8-11-16-12(14)10-6-15-19(2)13(10)17-11/h3-6H,7-8H2,1-2H3
InChIKeyJFXVSYXDIAAWPY-UHFFFAOYSA-N
MW307.81 g/mol
LogP2.71
Rot. Bonds4

About N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine

N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine (PubChem CID 63220285) has the molecular formula C13H14ClN5S and a molecular weight of 307.81 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
PubChem CID63220285
Molecular FormulaC13H14ClN5S
Molecular Weight307.81 g/mol
Exact Mass307.07
IUPAC NameN-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
SMILESCN(Cc1nc(Cl)c2cnn(C)c2n1)Cc1cccs1
InChIInChI=1S/C13H14ClN5S/c1-18(7-9-4-3-5-20-9)8-11-16-12(14)10-6-15-19(2)13(10)17-11/h3-6H,7-8H2,1-2H3
InChIKeyJFXVSYXDIAAWPY-UHFFFAOYSA-N
XLogP2.71
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine (CID 63220285) is N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine is CN(Cc1nc(Cl)c2cnn(C)c2n1)Cc1cccs1.
What is the InChIKey of N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine?
The InChIKey is JFXVSYXDIAAWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5S/c1-18(7-9-4-3-5-20-9)8-11-16-12(14)10-6-15-19(2)13(10)17-11/h3-6H,7-8H2,1-2H3.
What are the key properties of N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine?
N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine has a molecular weight of 307.81 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 63220285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).