2-[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine

C17H14ClN5S — CID 2241187

IUPAC2-[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(-c2ncnc3sc(C)c(-c4ccc(Cl)cc4)c23)n1
InChIInChI=1S/C17H14ClN5S/c1-9-7-13(19)23(22-9)16-15-14(11-3-5-12(18)6-4-11)10(2)24-17(15)21-8-20-16/h3-8H,19H2,1-2H3
InChIKeyZBCPANWNAQATDZ-UHFFFAOYSA-N
MW355.85 g/mol
LogP4.40
Rot. Bonds2

About 2-[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine

2-[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine (PubChem CID 2241187) has the molecular formula C17H14ClN5S and a molecular weight of 355.85 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine
PubChem CID2241187
Molecular FormulaC17H14ClN5S
Molecular Weight355.85 g/mol
Exact Mass355.07
IUPAC Name2-[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(-c2ncnc3sc(C)c(-c4ccc(Cl)cc4)c23)n1
InChIInChI=1S/C17H14ClN5S/c1-9-7-13(19)23(22-9)16-15-14(11-3-5-12(18)6-4-11)10(2)24-17(15)21-8-20-16/h3-8H,19H2,1-2H3
InChIKeyZBCPANWNAQATDZ-UHFFFAOYSA-N
XLogP4.40
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 715964
N-[(E)-(4-chlorophenyl)methylideneamino]-3-methylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70687063
3-methyl-1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]-1H-pyrazol-5-amine
CID 675346
1-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-amine
CID 829543
2-[3-(4-Chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetonitrile
CID 1835517
3-(4-Chlorophenyl)-2,5-dimethyl-7-(prop-2-en-1-ylsulfanyl)pyrazolo[1,5-a]pyrimidine
CID 1835590
N'-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylethane-1,2-diamine
CID 2026185
2-{4-allyl-5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-4,6-dimethylthieno[2,3-b]pyridin-3-amine
CID 2816337
2-{5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}-4,6-dimethylthieno[2,3-b]pyridin-3-amine
CID 2816345
4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
CID 2918677
3-(4-Chlorophenyl)-7-(ethylsulfanyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 3549318
3-[[2-(3,5-Dimethylpyrazol-1-yl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-amine
CID 3791336

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine?
The IUPAC name of 2-[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine (CID 2241187) is 2-[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine?
The canonical SMILES for 2-[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine is Cc1cc(N)n(-c2ncnc3sc(C)c(-c4ccc(Cl)cc4)c23)n1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine?
The InChIKey is ZBCPANWNAQATDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5S/c1-9-7-13(19)23(22-9)16-15-14(11-3-5-12(18)6-4-11)10(2)24-17(15)21-8-20-16/h3-8H,19H2,1-2H3.
What are the key properties of 2-[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine?
2-[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine has a molecular weight of 355.85 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 2241187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).