2-pyridin-3-yl-4-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one

C19H20N4OS — CID 136673538

IUPAC2-pyridin-3-yl-4-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
SMILESO=c1cc([C@@H]2CCCN(Cc3ccsc3)C2)nc(-c2cccnc2)[nH]1
InChIInChI=1S/C19H20N4OS/c24-18-9-17(21-19(22-18)15-3-1-6-20-10-15)16-4-2-7-23(12-16)11-14-5-8-25-13-14/h1,3,5-6,8-10,13,16H,2,4,7,11-12H2,(H,21,22,24)/t16-/m1/s1
InChIKeyIOLBLEZOBLKVAP-MRXNPFEDSA-N
MW352.46 g/mol
LogP3.27
Rot. Bonds4

About 2-pyridin-3-yl-4-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one

2-pyridin-3-yl-4-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136673538) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-pyridin-3-yl-4-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-pyridin-3-yl-4-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136673538
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name2-pyridin-3-yl-4-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
SMILESO=c1cc([C@@H]2CCCN(Cc3ccsc3)C2)nc(-c2cccnc2)[nH]1
InChIInChI=1S/C19H20N4OS/c24-18-9-17(21-19(22-18)15-3-1-6-20-10-15)16-4-2-7-23(12-16)11-14-5-8-25-13-14/h1,3,5-6,8-10,13,16H,2,4,7,11-12H2,(H,21,22,24)/t16-/m1/s1
InChIKeyIOLBLEZOBLKVAP-MRXNPFEDSA-N
XLogP3.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-4-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-pyridin-3-yl-4-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one (CID 136673538) is 2-pyridin-3-yl-4-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-pyridin-3-yl-4-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-pyridin-3-yl-4-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one is O=c1cc([C@@H]2CCCN(Cc3ccsc3)C2)nc(-c2cccnc2)[nH]1.
What is the InChIKey of 2-pyridin-3-yl-4-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is IOLBLEZOBLKVAP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N4OS/c24-18-9-17(21-19(22-18)15-3-1-6-20-10-15)16-4-2-7-23(12-16)11-14-5-8-25-13-14/h1,3,5-6,8-10,13,16H,2,4,7,11-12H2,(H,21,22,24)/t16-/m1/s1.
What are the key properties of 2-pyridin-3-yl-4-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one?
2-pyridin-3-yl-4-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 352.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-4-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136673538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).