N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine

C10H9N5S — CID 61000868

IUPACN-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESc1nc(NCc2cn[nH]c2)c2sccc2n1
InChIInChI=1S/C10H9N5S/c1-2-16-9-8(1)12-6-13-10(9)11-3-7-4-14-15-5-7/h1-2,4-6H,3H2,(H,14,15)(H,11,12,13)
InChIKeyMOJOGOBOGZRZRZ-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.03
Rot. Bonds3

About N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine

N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 61000868) has the molecular formula C10H9N5S and a molecular weight of 231.28 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID61000868
Molecular FormulaC10H9N5S
Molecular Weight231.28 g/mol
Exact Mass231.06
IUPAC NameN-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESc1nc(NCc2cn[nH]c2)c2sccc2n1
InChIInChI=1S/C10H9N5S/c1-2-16-9-8(1)12-6-13-10(9)11-3-7-4-14-15-5-7/h1-2,4-6H,3H2,(H,14,15)(H,11,12,13)
InChIKeyMOJOGOBOGZRZRZ-UHFFFAOYSA-N
XLogP2.03
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine (CID 61000868) is N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine is c1nc(NCc2cn[nH]c2)c2sccc2n1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is MOJOGOBOGZRZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S/c1-2-16-9-8(1)12-6-13-10(9)11-3-7-4-14-15-5-7/h1-2,4-6H,3H2,(H,14,15)(H,11,12,13).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 231.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 61000868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).