5-(2-fluorophenyl)-2-[(4-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

C19H20FN3OS — CID 46017893

IUPAC5-(2-fluorophenyl)-2-[(4-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC1CCN(Cc2nc3scc(-c4ccccc4F)c3c(=O)[nH]2)CC1
InChIInChI=1S/C19H20FN3OS/c1-12-6-8-23(9-7-12)10-16-21-18(24)17-14(11-25-19(17)22-16)13-4-2-3-5-15(13)20/h2-5,11-12H,6-10H2,1H3,(H,21,22,24)
InChIKeyMBGBHWBZADNVQH-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.02
Rot. Bonds3

About 5-(2-fluorophenyl)-2-[(4-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

5-(2-fluorophenyl)-2-[(4-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 46017893) has the molecular formula C19H20FN3OS and a molecular weight of 357.45 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-2-[(4-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-fluorophenyl)-2-[(4-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID46017893
Molecular FormulaC19H20FN3OS
Molecular Weight357.45 g/mol
Exact Mass357.13
IUPAC Name5-(2-fluorophenyl)-2-[(4-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC1CCN(Cc2nc3scc(-c4ccccc4F)c3c(=O)[nH]2)CC1
InChIInChI=1S/C19H20FN3OS/c1-12-6-8-23(9-7-12)10-16-21-18(24)17-14(11-25-19(17)22-16)13-4-2-3-5-15(13)20/h2-5,11-12H,6-10H2,1H3,(H,21,22,24)
InChIKeyMBGBHWBZADNVQH-UHFFFAOYSA-N
XLogP4.02
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 46017887
5-(2-chlorophenyl)-2-[[4-(propan-2-ylamino)piperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 56569926
5-(2-chlorophenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 42682675
2-[[(3R)-3-methylpiperidin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 40609259
2-[(4-benzylpiperidin-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2461264
2-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 11930085
2-[(3-anilinopyrrolidin-1-yl)methyl]-5-(2-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 56527054
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 9023153
2-(piperidin-1-ylmethyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2097897
2-(azocan-1-ylmethyl)-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 8784587
5-(4-methylphenyl)-2-[(4-methylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 46017861
2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 18197513

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-2-[(4-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(2-fluorophenyl)-2-[(4-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 46017893) is 5-(2-fluorophenyl)-2-[(4-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2-fluorophenyl)-2-[(4-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(2-fluorophenyl)-2-[(4-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one is CC1CCN(Cc2nc3scc(-c4ccccc4F)c3c(=O)[nH]2)CC1.
What is the InChIKey of 5-(2-fluorophenyl)-2-[(4-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is MBGBHWBZADNVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3OS/c1-12-6-8-23(9-7-12)10-16-21-18(24)17-14(11-25-19(17)22-16)13-4-2-3-5-15(13)20/h2-5,11-12H,6-10H2,1H3,(H,21,22,24).
What are the key properties of 5-(2-fluorophenyl)-2-[(4-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
5-(2-fluorophenyl)-2-[(4-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 357.45 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-2-[(4-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 46017893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).