6-ethyl-4-(furan-3-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-5-amine;formamide

C17H22N6O2S — CID 143626952

IUPAC6-ethyl-4-(furan-3-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-5-amine;formamide
SMILESCCc1sc2nc(N3CCNCC3)nc(-c3ccoc3)c2c1N.NC=O
InChIInChI=1S/C16H19N5OS.CH3NO/c1-2-11-13(17)12-14(10-3-8-22-9-10)19-16(20-15(12)23-11)21-6-4-18-5-7-21;2-1-3/h3,8-9,18H,2,4-7,17H2,1H3;1H,(H2,2,3)
InChIKeyNJGKYITVGPHHCH-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.61
Rot. Bonds3

About 6-ethyl-4-(furan-3-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-5-amine;formamide

6-ethyl-4-(furan-3-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-5-amine;formamide (PubChem CID 143626952) has the molecular formula C17H22N6O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 6-ethyl-4-(furan-3-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-5-amine;formamide.

Molecular Properties

Compound Name6-ethyl-4-(furan-3-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-5-amine;formamide
PubChem CID143626952
Molecular FormulaC17H22N6O2S
Molecular Weight374.47 g/mol
Exact Mass374.15
IUPAC Name6-ethyl-4-(furan-3-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-5-amine;formamide
SMILESCCc1sc2nc(N3CCNCC3)nc(-c3ccoc3)c2c1N.NC=O
InChIInChI=1S/C16H19N5OS.CH3NO/c1-2-11-13(17)12-14(10-3-8-22-9-10)19-16(20-15(12)23-11)21-6-4-18-5-7-21;2-1-3/h3,8-9,18H,2,4-7,17H2,1H3;1H,(H2,2,3)
InChIKeyNJGKYITVGPHHCH-UHFFFAOYSA-N
XLogP1.61
TPSA123.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-5-methyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine
CID 70536376
6-ethyl-N,5-dimethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine
CID 70536211
5-methyl-4-phenyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine
CID 3062911
2-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidin-4-amine
CID 70537326
4-[6-ethyl-5-methyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 88740274
6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine
CID 28848023
2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone
CID 147071236
N-[4-methyl-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-thiazol-5-yl]formamide
CID 175204770
5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide;ethane
CID 143513419
5-ethyl-4-methyl-2-piperazin-1-ylpyrimidine
CID 103278300
butane;2-piperazin-1-ylpyrimidine
CID 144912345
3,5-diethyl-2-methyl-1-N-(2-piperazin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 87466229

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-(furan-3-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-5-amine;formamide?
The IUPAC name of 6-ethyl-4-(furan-3-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-5-amine;formamide (CID 143626952) is 6-ethyl-4-(furan-3-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-5-amine;formamide.
What is the SMILES notation for 6-ethyl-4-(furan-3-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-5-amine;formamide?
The canonical SMILES for 6-ethyl-4-(furan-3-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-5-amine;formamide is CCc1sc2nc(N3CCNCC3)nc(-c3ccoc3)c2c1N.NC=O.
What is the InChIKey of 6-ethyl-4-(furan-3-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-5-amine;formamide?
The InChIKey is NJGKYITVGPHHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS.CH3NO/c1-2-11-13(17)12-14(10-3-8-22-9-10)19-16(20-15(12)23-11)21-6-4-18-5-7-21;2-1-3/h3,8-9,18H,2,4-7,17H2,1H3;1H,(H2,2,3).
What are the key properties of 6-ethyl-4-(furan-3-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-5-amine;formamide?
6-ethyl-4-(furan-3-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-5-amine;formamide has a molecular weight of 374.47 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-(furan-3-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-5-amine;formamide is sourced from PubChem (CID 143626952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).