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

C10H8ClN5S — CID 106194374

IUPAC2-chloro-N-(1H-pyrazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESClc1nc(NCc2ccn[nH]2)c2ccsc2n1
InChIInChI=1S/C10H8ClN5S/c11-10-14-8(7-2-4-17-9(7)15-10)12-5-6-1-3-13-16-6/h1-4H,5H2,(H,13,16)(H,12,14,15)
InChIKeyNPQLTDGFZITQIW-UHFFFAOYSA-N
MW265.73 g/mol
LogP2.68
Rot. Bonds3

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

2-chloro-N-(1H-pyrazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 106194374) has the molecular formula C10H8ClN5S and a molecular weight of 265.73 g/mol. Its IUPAC name is 2-chloro-N-(1H-pyrazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1H-pyrazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID106194374
Molecular FormulaC10H8ClN5S
Molecular Weight265.73 g/mol
Exact Mass265.02
IUPAC Name2-chloro-N-(1H-pyrazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESClc1nc(NCc2ccn[nH]2)c2ccsc2n1
InChIInChI=1S/C10H8ClN5S/c11-10-14-8(7-2-4-17-9(7)15-10)12-5-6-1-3-13-16-6/h1-4H,5H2,(H,13,16)(H,12,14,15)
InChIKeyNPQLTDGFZITQIW-UHFFFAOYSA-N
XLogP2.68
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.73
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320451
2-chloro-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
CID 106194384
2-chloro-5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
CID 106194417
N-[(2-bromo-5-fluorophenyl)methyl]-2-chlorothieno[2,3-d]pyrimidin-4-amine
CID 106193585
2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322597
[3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197100
2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322599
5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107318295
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321592
2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320788
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 103322549
3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 103321319

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1H-pyrazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(1H-pyrazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 106194374) is 2-chloro-N-(1H-pyrazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(1H-pyrazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(1H-pyrazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Clc1nc(NCc2ccn[nH]2)c2ccsc2n1.
What is the InChIKey of 2-chloro-N-(1H-pyrazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NPQLTDGFZITQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5S/c11-10-14-8(7-2-4-17-9(7)15-10)12-5-6-1-3-13-16-6/h1-4H,5H2,(H,13,16)(H,12,14,15).
What are the key properties of 2-chloro-N-(1H-pyrazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-(1H-pyrazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 265.73 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1H-pyrazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106194374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).