5-cyclopropyl-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine

C16H19N5S — CID 56730619

IUPAC5-cyclopropyl-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nn(C)c2c(N(C)Cc3cccs3)nc(C3CC3)nc12
InChIInChI=1S/C16H19N5S/c1-10-13-14(21(3)19-10)16(18-15(17-13)11-6-7-11)20(2)9-12-5-4-8-22-12/h4-5,8,11H,6-7,9H2,1-3H3
InChIKeyBNXQFDXXXIERJA-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.25
Rot. Bonds4

About 5-cyclopropyl-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine

5-cyclopropyl-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 56730619) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is 5-cyclopropyl-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-cyclopropyl-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID56730619
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC Name5-cyclopropyl-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nn(C)c2c(N(C)Cc3cccs3)nc(C3CC3)nc12
InChIInChI=1S/C16H19N5S/c1-10-13-14(21(3)19-10)16(18-15(17-13)11-6-7-11)20(2)9-12-5-4-8-22-12/h4-5,8,11H,6-7,9H2,1-3H3
InChIKeyBNXQFDXXXIERJA-UHFFFAOYSA-N
XLogP3.25
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-cyclopropyl-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine (CID 56730619) is 5-cyclopropyl-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-cyclopropyl-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-cyclopropyl-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine is Cc1nn(C)c2c(N(C)Cc3cccs3)nc(C3CC3)nc12.
What is the InChIKey of 5-cyclopropyl-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is BNXQFDXXXIERJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S/c1-10-13-14(21(3)19-10)16(18-15(17-13)11-6-7-11)20(2)9-12-5-4-8-22-12/h4-5,8,11H,6-7,9H2,1-3H3.
What are the key properties of 5-cyclopropyl-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
5-cyclopropyl-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 313.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 56730619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).