furan-2-yl-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone

C21H18N4O2S — CID 1277428

IUPACfuran-2-yl-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C21H18N4O2S/c26-21(17-7-4-12-27-17)25-10-8-24(9-11-25)19-16-13-18(15-5-2-1-3-6-15)28-20(16)23-14-22-19/h1-7,12-14H,8-11H2
InChIKeyKNHSTZQVQKIQHZ-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.91
Rot. Bonds3

About furan-2-yl-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone

furan-2-yl-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 1277428) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is furan-2-yl-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID1277428
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Namefuran-2-yl-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C21H18N4O2S/c26-21(17-7-4-12-27-17)25-10-8-24(9-11-25)19-16-13-18(15-5-2-1-3-6-15)28-20(16)23-14-22-19/h1-7,12-14H,8-11H2
InChIKeyKNHSTZQVQKIQHZ-UHFFFAOYSA-N
XLogP3.91
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Furanyl-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]methanone
CID 1434953
N-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)furan-2-carboxamide
CID 651628
6-Benzyl-2-(5-methyl-furan-2-yl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 45275517
2-(5-Methylfuran-2-yl)-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 45275823
6-[(3,3-Difluoropiperidin-1-yl)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 45278533
2-(Furan-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 45279725
6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 45279727
N-[2-(dimethylamino)-5-[(11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]phenyl]furan-2-carboxamide
CID 162643127
N-[2-(dimethylamino)-5-[[11-(pyridine-4-carbonyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]phenyl]furan-2-carboxamide
CID 162667660
N-[2-(dimethylamino)-5-[[11-(pyridine-2-carbonyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]phenyl]furan-2-carboxamide
CID 162670603
N-[2-(dimethylamino)-5-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-ylamino)phenyl]furan-2-carboxamide
CID 162671342
N-[2-(dimethylamino)-5-[[11-[3-(4-methylpiperazin-1-yl)propyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]phenyl]furan-2-carboxamide
CID 162674150

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone (CID 1277428) is furan-2-yl-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1.
What is the InChIKey of furan-2-yl-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is KNHSTZQVQKIQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c26-21(17-7-4-12-27-17)25-10-8-24(9-11-25)19-16-13-18(15-5-2-1-3-6-15)28-20(16)23-14-22-19/h1-7,12-14H,8-11H2.
What are the key properties of furan-2-yl-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
furan-2-yl-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 390.47 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 1277428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).