4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine

C10H10N6S — CID 166774034

IUPAC4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(N)nc3sccc23)n[nH]1
InChIInChI=1S/C10H10N6S/c1-5-4-7(16-15-5)12-8-6-2-3-17-9(6)14-10(11)13-8/h2-4H,1H3,(H4,11,12,13,14,15,16)
InChIKeyNOXRDJKMQCGWSF-UHFFFAOYSA-N
MW246.30 g/mol
LogP2.05
Rot. Bonds2

About 4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine

4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 166774034) has the molecular formula C10H10N6S and a molecular weight of 246.30 g/mol. Its IUPAC name is 4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID166774034
Molecular FormulaC10H10N6S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC Name4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(N)nc3sccc23)n[nH]1
InChIInChI=1S/C10H10N6S/c1-5-4-7(16-15-5)12-8-6-2-3-17-9(6)14-10(11)13-8/h2-4H,1H3,(H4,11,12,13,14,15,16)
InChIKeyNOXRDJKMQCGWSF-UHFFFAOYSA-N
XLogP2.05
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 141159470
4-N-(5-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323664
4-N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323320
4-N-(2-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323332
7-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]-9-azabicyclo[3.3.1]nonane-3-carbaldehyde
CID 166871332
4-N-(3,5-dimethoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323394
9-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 175895030
3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 166770000
tert-butyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carboxylate
CID 150451383
[4-[[5-(hydroxymethyl)-1H-pyrazol-3-yl]amino]thieno[2,3-d]pyrimidin-2-yl] thiohypochlorite
CID 175418089
4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323570
4-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323534

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 166774034) is 4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine is Cc1cc(Nc2nc(N)nc3sccc23)n[nH]1.
What is the InChIKey of 4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is NOXRDJKMQCGWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6S/c1-5-4-7(16-15-5)12-8-6-2-3-17-9(6)14-10(11)13-8/h2-4H,1H3,(H4,11,12,13,14,15,16).
What are the key properties of 4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 246.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 166774034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).