4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine

C14H18N6S — CID 103330644

IUPAC4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc(C)n(CCCNc2nc(N)nc3sccc23)n1
InChIInChI=1S/C14H18N6S/c1-9-8-10(2)20(19-9)6-3-5-16-12-11-4-7-21-13(11)18-14(15)17-12/h4,7-8H,3,5-6H2,1-2H3,(H3,15,16,17,18)
InChIKeyZQACFUXSUBABDJ-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.59
Rot. Bonds5

About 4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine

4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103330644) has the molecular formula C14H18N6S and a molecular weight of 302.41 g/mol. Its IUPAC name is 4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103330644
Molecular FormulaC14H18N6S
Molecular Weight302.41 g/mol
Exact Mass302.13
IUPAC Name4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc(C)n(CCCNc2nc(N)nc3sccc23)n1
InChIInChI=1S/C14H18N6S/c1-9-8-10(2)20(19-9)6-3-5-16-12-11-4-7-21-13(11)18-14(15)17-12/h4,7-8H,3,5-6H2,1-2H3,(H3,15,16,17,18)
InChIKeyZQACFUXSUBABDJ-UHFFFAOYSA-N
XLogP2.59
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 114148662
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-methylthieno[2,3-d]pyrimidin-4-amine
CID 72938446
4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327647
4-N-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 107818983
4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324290
2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylpyridine-2,5-diamine
CID 114536155
6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2,3,6-triamine
CID 114536169
4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328827
4-N-[(1-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329463
3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dimethylpyrazin-2-amine
CID 114539015
4-N-(5-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323664
4-N-[(6-methyl-2-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327165

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine (CID 103330644) is 4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine is Cc1cc(C)n(CCCNc2nc(N)nc3sccc23)n1.
What is the InChIKey of 4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is ZQACFUXSUBABDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6S/c1-9-8-10(2)20(19-9)6-3-5-16-12-11-4-7-21-13(11)18-14(15)17-12/h4,7-8H,3,5-6H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 302.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103330644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).