(5R)-5-(dimethylamino)-2-thiophen-2-yl-4,5-dihydro-1H-pyrimidin-6-one

C10H13N3OS — CID 90089655

IUPAC(5R)-5-(dimethylamino)-2-thiophen-2-yl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCN(C)[C@@H]1CN=C(c2cccs2)NC1=O
InChIInChI=1S/C10H13N3OS/c1-13(2)7-6-11-9(12-10(7)14)8-4-3-5-15-8/h3-5,7H,6H2,1-2H3,(H,11,12,14)/t7-/m1/s1
InChIKeyGRUAHSZGMUWEOA-SSDOTTSWSA-N
MW223.30 g/mol
LogP0.55
Rot. Bonds2

About (5R)-5-(dimethylamino)-2-thiophen-2-yl-4,5-dihydro-1H-pyrimidin-6-one

(5R)-5-(dimethylamino)-2-thiophen-2-yl-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 90089655) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is (5R)-5-(dimethylamino)-2-thiophen-2-yl-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name(5R)-5-(dimethylamino)-2-thiophen-2-yl-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID90089655
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name(5R)-5-(dimethylamino)-2-thiophen-2-yl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCN(C)[C@@H]1CN=C(c2cccs2)NC1=O
InChIInChI=1S/C10H13N3OS/c1-13(2)7-6-11-9(12-10(7)14)8-4-3-5-15-8/h3-5,7H,6H2,1-2H3,(H,11,12,14)/t7-/m1/s1
InChIKeyGRUAHSZGMUWEOA-SSDOTTSWSA-N
XLogP0.55
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(dimethylamino)-2-thiophen-2-yl-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of (5R)-5-(dimethylamino)-2-thiophen-2-yl-4,5-dihydro-1H-pyrimidin-6-one (CID 90089655) is (5R)-5-(dimethylamino)-2-thiophen-2-yl-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for (5R)-5-(dimethylamino)-2-thiophen-2-yl-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for (5R)-5-(dimethylamino)-2-thiophen-2-yl-4,5-dihydro-1H-pyrimidin-6-one is CN(C)[C@@H]1CN=C(c2cccs2)NC1=O.
What is the InChIKey of (5R)-5-(dimethylamino)-2-thiophen-2-yl-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is GRUAHSZGMUWEOA-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-13(2)7-6-11-9(12-10(7)14)8-4-3-5-15-8/h3-5,7H,6H2,1-2H3,(H,11,12,14)/t7-/m1/s1.
What are the key properties of (5R)-5-(dimethylamino)-2-thiophen-2-yl-4,5-dihydro-1H-pyrimidin-6-one?
(5R)-5-(dimethylamino)-2-thiophen-2-yl-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 223.30 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(dimethylamino)-2-thiophen-2-yl-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 90089655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).