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

C10H8ClN5S — CID 146645009

IUPAC2-chloro-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(Cl)nc3sccc23)n[nH]1
InChIInChI=1S/C10H8ClN5S/c1-5-4-7(16-15-5)12-8-6-2-3-17-9(6)14-10(11)13-8/h2-4H,1H3,(H2,12,13,14,15,16)
InChIKeyMFRWEPROKVDKBF-UHFFFAOYSA-N
MW265.73 g/mol
LogP3.12
Rot. Bonds2

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

2-chloro-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 146645009) has the molecular formula C10H8ClN5S and a molecular weight of 265.73 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID146645009
Molecular FormulaC10H8ClN5S
Molecular Weight265.73 g/mol
Exact Mass265.02
IUPAC Name2-chloro-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(Cl)nc3sccc23)n[nH]1
InChIInChI=1S/C10H8ClN5S/c1-5-4-7(16-15-5)12-8-6-2-3-17-9(6)14-10(11)13-8/h2-4H,1H3,(H2,12,13,14,15,16)
InChIKeyMFRWEPROKVDKBF-UHFFFAOYSA-N
XLogP3.12
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.73
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine (CID 146645009) is 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1cc(Nc2nc(Cl)nc3sccc23)n[nH]1.
What is the InChIKey of 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MFRWEPROKVDKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5S/c1-5-4-7(16-15-5)12-8-6-2-3-17-9(6)14-10(11)13-8/h2-4H,1H3,(H2,12,13,14,15,16).
What are the key properties of 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 265.73 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 146645009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).