N-ethyl-4-(4-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide

C16H16N4OS — CID 58560936

IUPACN-ethyl-4-(4-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cc2c(Nc3ccc(C)cc3)ncnc2s1
InChIInChI=1S/C16H16N4OS/c1-3-17-15(21)13-8-12-14(18-9-19-16(12)22-13)20-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyAUAADHFWEDRHOV-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.49
Rot. Bonds4

About N-ethyl-4-(4-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide

N-ethyl-4-(4-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 58560936) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-ethyl-4-(4-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(4-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID58560936
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-ethyl-4-(4-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cc2c(Nc3ccc(C)cc3)ncnc2s1
InChIInChI=1S/C16H16N4OS/c1-3-17-15(21)13-8-12-14(18-9-19-16(12)22-13)20-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyAUAADHFWEDRHOV-UHFFFAOYSA-N
XLogP3.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-ethyl-2-(phenylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328648
3-(4-{4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-phenylurea
CID 6539971
Thienopyrimidine deriv. 11
CID 6539972
Thienopyrimidine deriv. 70
CID 6539978
Thienopyrimidine deriv. 72
CID 6539979
3-(4-{4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-benzylurea
CID 6539981
Thienopyrimidine deriv. 74
CID 6539983
Thienopyrimidine deriv. 75
CID 6539984
Urea, N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-N'-butyl-
CID 6539986
Thienopyrimidine deriv. 10
CID 6539988
Thienopyrimidine deriv. 12
CID 6539989
Thienopyrimidine deriv. 16
CID 6539993

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-ethyl-4-(4-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide (CID 58560936) is N-ethyl-4-(4-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-ethyl-4-(4-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-ethyl-4-(4-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide is CCNC(=O)c1cc2c(Nc3ccc(C)cc3)ncnc2s1.
What is the InChIKey of N-ethyl-4-(4-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is AUAADHFWEDRHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-3-17-15(21)13-8-12-14(18-9-19-16(12)22-13)20-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of N-ethyl-4-(4-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide?
N-ethyl-4-(4-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 58560936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).