N-[(5-amino-1H-pyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C10H10N6S — CID 79529237

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1[nH]ncc1CNc1ncnc2sccc12
InChIInChI=1S/C10H10N6S/c11-8-6(4-15-16-8)3-12-9-7-1-2-17-10(7)14-5-13-9/h1-2,4-5H,3H2,(H3,11,15,16)(H,12,13,14)
InChIKeyCUZJFISOZQWJIT-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.61
Rot. Bonds3

About N-[(5-amino-1H-pyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

N-[(5-amino-1H-pyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 79529237) has the molecular formula C10H10N6S and a molecular weight of 246.30 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID79529237
Molecular FormulaC10H10N6S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1[nH]ncc1CNc1ncnc2sccc12
InChIInChI=1S/C10H10N6S/c11-8-6(4-15-16-8)3-12-9-7-1-2-17-10(7)14-5-13-9/h1-2,4-5H,3H2,(H3,11,15,16)(H,12,13,14)
InChIKeyCUZJFISOZQWJIT-UHFFFAOYSA-N
XLogP1.61
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 79529237) is N-[(5-amino-1H-pyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is Nc1[nH]ncc1CNc1ncnc2sccc12.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CUZJFISOZQWJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6S/c11-8-6(4-15-16-8)3-12-9-7-1-2-17-10(7)14-5-13-9/h1-2,4-5H,3H2,(H3,11,15,16)(H,12,13,14).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(5-amino-1H-pyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 246.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 79529237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).