N-(4-ethoxyphenyl)-4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide

C23H29N5O2S — CID 42799978

IUPACN-(4-ethoxyphenyl)-4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(c3nc(CC)nc4sc(C)c(C)c34)CC2)cc1
InChIInChI=1S/C23H29N5O2S/c1-5-19-25-21(20-15(3)16(4)31-22(20)26-19)27-11-13-28(14-12-27)23(29)24-17-7-9-18(10-8-17)30-6-2/h7-10H,5-6,11-14H2,1-4H3,(H,24,29)
InChIKeyHRVSQYKZXVOJIA-UHFFFAOYSA-N
MW439.59 g/mol
LogP4.62
Rot. Bonds5

About N-(4-ethoxyphenyl)-4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide

N-(4-ethoxyphenyl)-4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 42799978) has the molecular formula C23H29N5O2S and a molecular weight of 439.59 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID42799978
Molecular FormulaC23H29N5O2S
Molecular Weight439.59 g/mol
Exact Mass439.20
IUPAC NameN-(4-ethoxyphenyl)-4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(c3nc(CC)nc4sc(C)c(C)c34)CC2)cc1
InChIInChI=1S/C23H29N5O2S/c1-5-19-25-21(20-15(3)16(4)31-22(20)26-19)27-11-13-28(14-12-27)23(29)24-17-7-9-18(10-8-17)30-6-2/h7-10H,5-6,11-14H2,1-4H3,(H,24,29)
InChIKeyHRVSQYKZXVOJIA-UHFFFAOYSA-N
XLogP4.62
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.59
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 42799982
N-tert-butyl-4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 42799970
4-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 42799934
2-chloro-1-[4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 42799781
(3,4-dichlorophenyl)-[4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 42799793
4-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 42799949
N-(4-ethoxyphenyl)-4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazine-1-carboxamide
CID 4141793
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
4-(3,5-dichloro-4-pyridinyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 23852476
N-(4-ethoxyphenyl)-2-[4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133404732
4-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-cyclohexylpiperazine-1-carboxamide
CID 42799948
N-(4-ethoxyphenyl)-4-[6-[(4-methylphenyl)methyl]-3-pyridin-3-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxamide
CID 42875050

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide (CID 42799978) is N-(4-ethoxyphenyl)-4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide is CCOc1ccc(NC(=O)N2CCN(c3nc(CC)nc4sc(C)c(C)c34)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is HRVSQYKZXVOJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2S/c1-5-19-25-21(20-15(3)16(4)31-22(20)26-19)27-11-13-28(14-12-27)23(29)24-17-7-9-18(10-8-17)30-6-2/h7-10H,5-6,11-14H2,1-4H3,(H,24,29).
What are the key properties of N-(4-ethoxyphenyl)-4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide?
N-(4-ethoxyphenyl)-4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 439.59 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 42799978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).