(6R)-6-methyl-7-[(1R)-1-phenylethyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione

C16H19N3O2 — CID 163219485

IUPAC(6R)-6-methyl-7-[(1R)-1-phenylethyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
SMILESC[C@@H]1Cc2c([nH]c(=O)[nH]c2=O)CN1[C@H](C)c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-10-8-13-14(17-16(21)18-15(13)20)9-19(10)11(2)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,17,18,20,21)/t10-,11-/m1/s1
InChIKeyYEKVLVCBRDMQBK-GHMZBOCLSA-N
MW285.35 g/mol
LogP1.57
Rot. Bonds2

About (6R)-6-methyl-7-[(1R)-1-phenylethyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione

(6R)-6-methyl-7-[(1R)-1-phenylethyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione (PubChem CID 163219485) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (6R)-6-methyl-7-[(1R)-1-phenylethyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name(6R)-6-methyl-7-[(1R)-1-phenylethyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
PubChem CID163219485
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(6R)-6-methyl-7-[(1R)-1-phenylethyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
SMILESC[C@@H]1Cc2c([nH]c(=O)[nH]c2=O)CN1[C@H](C)c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-10-8-13-14(17-16(21)18-15(13)20)9-19(10)11(2)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,17,18,20,21)/t10-,11-/m1/s1
InChIKeyYEKVLVCBRDMQBK-GHMZBOCLSA-N
XLogP1.57
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-1-[(1S)-1-phenylethyl]piperidin-4-one
CID 13198301
(2S)-2-methyl-1-(1-phenylethyl)piperidin-4-one
CID 69069233
(4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 11830202
2-methyl-1-(1-phenylethyl)-1,4-diazepane
CID 82242013
2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 141078428
(4R)-4-[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]pyrrolidin-2-one
CID 177444689
(2S,5S)-2,5-dimethyl-1-(1-phenylethyl)piperidine
CID 59989968
(2S)-2-methyl-1-[(1R)-1-phenylethyl]-2,6-dihydropyridin-3-one
CID 15468730
(2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 10976568
ethyl (2S)-2-methyl-5-oxo-1-[(1R)-1-phenylethyl]piperidine-4-carboxylate
CID 91054590
(6S)-6-methyl-4-[(1S)-1-phenylethyl]morpholine-2,5-dione
CID 10955462
(1S,4R)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-6-one
CID 10703897

Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-7-[(1R)-1-phenylethyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of (6R)-6-methyl-7-[(1R)-1-phenylethyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione (CID 163219485) is (6R)-6-methyl-7-[(1R)-1-phenylethyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for (6R)-6-methyl-7-[(1R)-1-phenylethyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for (6R)-6-methyl-7-[(1R)-1-phenylethyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione is C[C@@H]1Cc2c([nH]c(=O)[nH]c2=O)CN1[C@H](C)c1ccccc1.
What is the InChIKey of (6R)-6-methyl-7-[(1R)-1-phenylethyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The InChIKey is YEKVLVCBRDMQBK-GHMZBOCLSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-8-13-14(17-16(21)18-15(13)20)9-19(10)11(2)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,17,18,20,21)/t10-,11-/m1/s1.
What are the key properties of (6R)-6-methyl-7-[(1R)-1-phenylethyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
(6R)-6-methyl-7-[(1R)-1-phenylethyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione has a molecular weight of 285.35 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-7-[(1R)-1-phenylethyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 163219485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).