4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-ethylthieno[2,3-d]pyrimidine

C19H24N6OS — CID 133404794

IUPAC4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-ethylthieno[2,3-d]pyrimidine
SMILESCCOc1ccnc(N2CCCN(c3nc(CC)nc4sccc34)CC2)n1
InChIInChI=1S/C19H24N6OS/c1-3-15-21-17(14-7-13-27-18(14)22-15)24-9-5-10-25(12-11-24)19-20-8-6-16(23-19)26-4-2/h6-8,13H,3-5,9-12H2,1-2H3
InChIKeyVVRDIKRXINQITR-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.16
Rot. Bonds5

About 4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-ethylthieno[2,3-d]pyrimidine

4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-ethylthieno[2,3-d]pyrimidine (PubChem CID 133404794) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is 4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-ethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-ethylthieno[2,3-d]pyrimidine
PubChem CID133404794
Molecular FormulaC19H24N6OS
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC Name4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-ethylthieno[2,3-d]pyrimidine
SMILESCCOc1ccnc(N2CCCN(c3nc(CC)nc4sccc34)CC2)n1
InChIInChI=1S/C19H24N6OS/c1-3-15-21-17(14-7-13-27-18(14)22-15)24-9-5-10-25(12-11-24)19-20-8-6-16(23-19)26-4-2/h6-8,13H,3-5,9-12H2,1-2H3
InChIKeyVVRDIKRXINQITR-UHFFFAOYSA-N
XLogP3.16
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-ethylthieno[2,3-d]pyrimidine with MolForge

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Related Compounds

4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 59525896
2-ethyl-4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133403291
2-ethyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133403917
4-chloro-2-pyrrolidin-1-ylpyrimidine;4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 161200423
N-(4-ethoxyphenyl)-2-[4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133404732
4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]butan-1-amine
CID 115974288
1-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
CID 133423681
2-[4-(2-bromoethyl)piperazin-1-yl]-4-ethoxypyrimidine
CID 112639380
2,2-diethyl-4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 133479437
3-ethoxy-7-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 133403099
3-[[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]methyl]benzoic acid
CID 122029405
N,N-dimethyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine
CID 155976248

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-ethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-ethylthieno[2,3-d]pyrimidine (CID 133404794) is 4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-ethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-ethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-ethylthieno[2,3-d]pyrimidine is CCOc1ccnc(N2CCCN(c3nc(CC)nc4sccc34)CC2)n1.
What is the InChIKey of 4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-ethylthieno[2,3-d]pyrimidine?
The InChIKey is VVRDIKRXINQITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-3-15-21-17(14-7-13-27-18(14)22-15)24-9-5-10-25(12-11-24)19-20-8-6-16(23-19)26-4-2/h6-8,13H,3-5,9-12H2,1-2H3.
What are the key properties of 4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-ethylthieno[2,3-d]pyrimidine?
4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-ethylthieno[2,3-d]pyrimidine has a molecular weight of 384.51 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-ethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 133404794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).