1,3-dimethyl-6-[4-(6-oxo-4-thiophen-3-yl-1H-pyrimidin-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione

C20H21N5O4S — CID 136763970

IUPAC1,3-dimethyl-6-[4-(6-oxo-4-thiophen-3-yl-1H-pyrimidin-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
SMILESCn1c(C(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[nH]3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C20H21N5O4S/c1-23-15(10-17(27)24(2)20(23)29)19(28)25-6-3-12(4-7-25)18-21-14(9-16(26)22-18)13-5-8-30-11-13/h5,8-12H,3-4,6-7H2,1-2H3,(H,21,22,26)
InChIKeyFVFJCOYMPPZTKZ-UHFFFAOYSA-N
MW427.49 g/mol
LogP0.92
Rot. Bonds3

About 1,3-dimethyl-6-[4-(6-oxo-4-thiophen-3-yl-1H-pyrimidin-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[4-(6-oxo-4-thiophen-3-yl-1H-pyrimidin-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione (PubChem CID 136763970) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is 1,3-dimethyl-6-[4-(6-oxo-4-thiophen-3-yl-1H-pyrimidin-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[4-(6-oxo-4-thiophen-3-yl-1H-pyrimidin-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
PubChem CID136763970
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC Name1,3-dimethyl-6-[4-(6-oxo-4-thiophen-3-yl-1H-pyrimidin-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
SMILESCn1c(C(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[nH]3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C20H21N5O4S/c1-23-15(10-17(27)24(2)20(23)29)19(28)25-6-3-12(4-7-25)18-21-14(9-16(26)22-18)13-5-8-30-11-13/h5,8-12H,3-4,6-7H2,1-2H3,(H,21,22,26)
InChIKeyFVFJCOYMPPZTKZ-UHFFFAOYSA-N
XLogP0.92
TPSA110.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1,3-dimethyl-6-[4-(6-oxo-4-thiophen-3-yl-1H-pyrimidin-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

4-thiophen-3-yl-2-[1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 136850627
2-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136850277
2-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136735444
2-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136735792
5-[2-oxo-2-[4-(6-oxo-4-thiophen-3-yl-1H-pyrimidin-2-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione
CID 136881648
(5R)-5-[2-oxo-2-[4-(6-oxo-4-thiophen-3-yl-1H-pyrimidin-2-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione
CID 136682538
2-[(3R)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 135963244
2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136681468
2-[1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881629
2-[(3R)-1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136763979
tert-butyl 4-(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)piperidine-1-carboxylate
CID 136881552
1,3-dimethyl-6-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
CID 72889793

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[4-(6-oxo-4-thiophen-3-yl-1H-pyrimidin-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[4-(6-oxo-4-thiophen-3-yl-1H-pyrimidin-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione (CID 136763970) is 1,3-dimethyl-6-[4-(6-oxo-4-thiophen-3-yl-1H-pyrimidin-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[4-(6-oxo-4-thiophen-3-yl-1H-pyrimidin-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[4-(6-oxo-4-thiophen-3-yl-1H-pyrimidin-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione is Cn1c(C(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[nH]3)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[4-(6-oxo-4-thiophen-3-yl-1H-pyrimidin-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione?
The InChIKey is FVFJCOYMPPZTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-23-15(10-17(27)24(2)20(23)29)19(28)25-6-3-12(4-7-25)18-21-14(9-16(26)22-18)13-5-8-30-11-13/h5,8-12H,3-4,6-7H2,1-2H3,(H,21,22,26).
What are the key properties of 1,3-dimethyl-6-[4-(6-oxo-4-thiophen-3-yl-1H-pyrimidin-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[4-(6-oxo-4-thiophen-3-yl-1H-pyrimidin-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione has a molecular weight of 427.49 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[4-(6-oxo-4-thiophen-3-yl-1H-pyrimidin-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione is sourced from PubChem (CID 136763970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).