6-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione

C16H17N3O3 — CID 94020630

IUPAC6-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione
SMILESC[C@H](c1cc2ccccc2o1)N(C)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C16H17N3O3/c1-10(14-7-11-5-3-4-6-13(11)22-14)19(2)9-12-8-15(20)18-16(21)17-12/h3-8,10H,9H2,1-2H3,(H2,17,18,20,21)/t10-/m1/s1
InChIKeyVSBFNTNPPLASEN-SNVBAGLBSA-N
MW299.33 g/mol
LogP2.00
Rot. Bonds4

About 6-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione

6-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 94020630) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 6-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione
PubChem CID94020630
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name6-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione
SMILESC[C@H](c1cc2ccccc2o1)N(C)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C16H17N3O3/c1-10(14-7-11-5-3-4-6-13(11)22-14)19(2)9-12-8-15(20)18-16(21)17-12/h3-8,10H,9H2,1-2H3,(H2,17,18,20,21)/t10-/m1/s1
InChIKeyVSBFNTNPPLASEN-SNVBAGLBSA-N
XLogP2.00
TPSA82.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[(1S)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135891739
(1S)-1-(1-benzofuran-2-yl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine
CID 51873250
(1R)-1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine
CID 94026757
4-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]benzonitrile
CID 39976766
4-[[1-(1-benzofuran-2-yl)ethyl-methylamino]methyl]-7-hydroxy-8-methylchromen-2-one
CID 46551841
2-[[[(1S)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 95295827
1-(1-benzofuran-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 42946170
N-[2-(benzenesulfonyl)ethyl]-1-(1-benzofuran-2-yl)-N-methylethanamine
CID 134001049
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
ethyl 4-[[[(1S)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-1,3-thiazole-2-carboxylate
CID 51964388
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide
CID 39976177
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea
CID 134040576

Frequently Asked Questions

What is the IUPAC name of 6-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione (CID 94020630) is 6-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione is C[C@H](c1cc2ccccc2o1)N(C)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is VSBFNTNPPLASEN-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10(14-7-11-5-3-4-6-13(11)22-14)19(2)9-12-8-15(20)18-16(21)17-12/h3-8,10H,9H2,1-2H3,(H2,17,18,20,21)/t10-/m1/s1.
What are the key properties of 6-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione?
6-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 299.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 94020630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).