(1-phenylpyrazol-4-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

C19H17N5O2S — CID 24686634

IUPAC(1-phenylpyrazol-4-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCc1nc(C)c2c(N)c(C(=O)OCc3cnn(-c4ccccc4)c3)sc2n1
InChIInChI=1S/C19H17N5O2S/c1-11-15-16(20)17(27-18(15)23-12(2)22-11)19(25)26-10-13-8-21-24(9-13)14-6-4-3-5-7-14/h3-9H,10,20H2,1-2H3
InChIKeyNJFZRFMICJXPNK-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.43
Rot. Bonds4

About (1-phenylpyrazol-4-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

(1-phenylpyrazol-4-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 24686634) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is (1-phenylpyrazol-4-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name(1-phenylpyrazol-4-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID24686634
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name(1-phenylpyrazol-4-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCc1nc(C)c2c(N)c(C(=O)OCc3cnn(-c4ccccc4)c3)sc2n1
InChIInChI=1S/C19H17N5O2S/c1-11-15-16(20)17(27-18(15)23-12(2)22-11)19(25)26-10-13-8-21-24(9-13)14-6-4-3-5-7-14/h3-9H,10,20H2,1-2H3
InChIKeyNJFZRFMICJXPNK-UHFFFAOYSA-N
XLogP3.43
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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ethyl 3-amino-4-(1,3-diphenylpyrazol-4-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
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[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 24650238
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3-amino-4,6-dimethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide
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N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
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(1-phenylpyrazol-4-yl)methyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate
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methyl 4,5-dimethyl-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]thiophene-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of (1-phenylpyrazol-4-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of (1-phenylpyrazol-4-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (CID 24686634) is (1-phenylpyrazol-4-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for (1-phenylpyrazol-4-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for (1-phenylpyrazol-4-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is Cc1nc(C)c2c(N)c(C(=O)OCc3cnn(-c4ccccc4)c3)sc2n1.
What is the InChIKey of (1-phenylpyrazol-4-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is NJFZRFMICJXPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-11-15-16(20)17(27-18(15)23-12(2)22-11)19(25)26-10-13-8-21-24(9-13)14-6-4-3-5-7-14/h3-9H,10,20H2,1-2H3.
What are the key properties of (1-phenylpyrazol-4-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
(1-phenylpyrazol-4-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 379.45 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylpyrazol-4-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 24686634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).