2-amino-N-ethyl-4-[nitroso(pyridin-3-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide

C15H14N6O2S — CID 91001042

IUPAC2-amino-N-ethyl-4-[nitroso(pyridin-3-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cc2c(C(N=O)c3cccnc3)nc(N)nc2s1
InChIInChI=1S/C15H14N6O2S/c1-2-18-13(22)10-6-9-12(19-15(16)20-14(9)24-10)11(21-23)8-4-3-5-17-7-8/h3-7,11H,2H2,1H3,(H,18,22)(H2,16,19,20)
InChIKeyGNPRGWCURWWNPV-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.27
Rot. Bonds5

About 2-amino-N-ethyl-4-[nitroso(pyridin-3-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide

2-amino-N-ethyl-4-[nitroso(pyridin-3-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 91001042) has the molecular formula C15H14N6O2S and a molecular weight of 342.38 g/mol. Its IUPAC name is 2-amino-N-ethyl-4-[nitroso(pyridin-3-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-ethyl-4-[nitroso(pyridin-3-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID91001042
Molecular FormulaC15H14N6O2S
Molecular Weight342.38 g/mol
Exact Mass342.09
IUPAC Name2-amino-N-ethyl-4-[nitroso(pyridin-3-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cc2c(C(N=O)c3cccnc3)nc(N)nc2s1
InChIInChI=1S/C15H14N6O2S/c1-2-18-13(22)10-6-9-12(19-15(16)20-14(9)24-10)11(21-23)8-4-3-5-17-7-8/h3-7,11H,2H2,1H3,(H,18,22)(H2,16,19,20)
InChIKeyGNPRGWCURWWNPV-UHFFFAOYSA-N
XLogP2.27
TPSA123.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-4-[nitroso(pyridin-3-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-N-ethyl-4-[nitroso(pyridin-3-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 91001042) is 2-amino-N-ethyl-4-[nitroso(pyridin-3-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-N-ethyl-4-[nitroso(pyridin-3-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-N-ethyl-4-[nitroso(pyridin-3-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is CCNC(=O)c1cc2c(C(N=O)c3cccnc3)nc(N)nc2s1.
What is the InChIKey of 2-amino-N-ethyl-4-[nitroso(pyridin-3-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is GNPRGWCURWWNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2S/c1-2-18-13(22)10-6-9-12(19-15(16)20-14(9)24-10)11(21-23)8-4-3-5-17-7-8/h3-7,11H,2H2,1H3,(H,18,22)(H2,16,19,20).
What are the key properties of 2-amino-N-ethyl-4-[nitroso(pyridin-3-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
2-amino-N-ethyl-4-[nitroso(pyridin-3-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-4-[nitroso(pyridin-3-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 91001042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).