1,3-dimethyl-6-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione

C17H23N3O3S — CID 40881767

IUPAC1,3-dimethyl-6-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione
SMILESCn1c(CN(Cc2cccs2)C[C@H]2CCCO2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H23N3O3S/c1-18-13(9-16(21)19(2)17(18)22)10-20(11-14-5-3-7-23-14)12-15-6-4-8-24-15/h4,6,8-9,14H,3,5,7,10-12H2,1-2H3/t14-/m1/s1
InChIKeyHYQFZKKWTGQXJP-CQSZACIVSA-N
MW349.46 g/mol
LogP1.33
Rot. Bonds6

About 1,3-dimethyl-6-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione (PubChem CID 40881767) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione
PubChem CID40881767
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name1,3-dimethyl-6-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione
SMILESCn1c(CN(Cc2cccs2)C[C@H]2CCCO2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H23N3O3S/c1-18-13(9-16(21)19(2)17(18)22)10-20(11-14-5-3-7-23-14)12-15-6-4-8-24-15/h4,6,8-9,14H,3,5,7,10-12H2,1-2H3/t14-/m1/s1
InChIKeyHYQFZKKWTGQXJP-CQSZACIVSA-N
XLogP1.33
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-6-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]isoindole-1,3-dione
CID 8926032
7-methyl-2-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 9055397
1-[(2S)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)-N-(thiophen-2-ylmethyl)methanamine
CID 95904603
N-(3-methyl-1,2-oxazol-5-yl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 18154491
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 78807506
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 94541380
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681211
2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(propan-2-ylcarbamoyl)acetamide
CID 9055459
8-methyl-3-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 26012278
[3-[[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]oxetan-3-yl]methanol
CID 111976537
N-(methylcarbamoyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055441
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 47034356

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione (CID 40881767) is 1,3-dimethyl-6-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione is Cn1c(CN(Cc2cccs2)C[C@H]2CCCO2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione?
The InChIKey is HYQFZKKWTGQXJP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-18-13(9-16(21)19(2)17(18)22)10-20(11-14-5-3-7-23-14)12-15-6-4-8-24-15/h4,6,8-9,14H,3,5,7,10-12H2,1-2H3/t14-/m1/s1.
What are the key properties of 1,3-dimethyl-6-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione has a molecular weight of 349.46 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 40881767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).