2-methyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

C38H42N6O8S — CID 158425326

IUPAC2-methyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCS(=O)(=O)c1nc2c(c(OCc3ccccc3)n1)COCC2.Cc1nc2c(c(=O)[nH]1)COCC2.Cc1nc2c(c(OCc3ccccc3)n1)COCC2
InChIInChI=1S/C15H16N2O4S.C15H16N2O2.C8H10N2O2/c1-22(18,19)15-16-13-7-8-20-10-12(13)14(17-15)21-9-11-5-3-2-4-6-11;1-11-16-14-7-8-18-10-13(14)15(17-11)19-9-12-5-3-2-4-6-12;1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-6H,7-10H2,1H3;2-6H,7-10H2,1H3;2-4H2,1H3,(H,9,10,11)
InChIKeyHAZCXXVFHKMBOD-UHFFFAOYSA-N
MW742.86 g/mol
LogP4.12
Rot. Bonds7

About 2-methyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

2-methyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 158425326) has the molecular formula C38H42N6O8S and a molecular weight of 742.86 g/mol. Its IUPAC name is 2-methyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID158425326
Molecular FormulaC38H42N6O8S
Molecular Weight742.86 g/mol
Exact Mass742.28
IUPAC Name2-methyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCS(=O)(=O)c1nc2c(c(OCc3ccccc3)n1)COCC2.Cc1nc2c(c(=O)[nH]1)COCC2.Cc1nc2c(c(OCc3ccccc3)n1)COCC2
InChIInChI=1S/C15H16N2O4S.C15H16N2O2.C8H10N2O2/c1-22(18,19)15-16-13-7-8-20-10-12(13)14(17-15)21-9-11-5-3-2-4-6-11;1-11-16-14-7-8-18-10-13(14)15(17-11)19-9-12-5-3-2-4-6-12;1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-6H,7-10H2,1H3;2-6H,7-10H2,1H3;2-4H2,1H3,(H,9,10,11)
InChIKeyHAZCXXVFHKMBOD-UHFFFAOYSA-N
XLogP4.12
TPSA177.60 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.86
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 2-methyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one 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

benzyl 3-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanoate
CID 148661979
2,8-dimethyl-6-phenylmethoxy-7H-purine
CID 22960895
2-(2,3-dimethylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696451
2-pyridin-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696261
2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696239
2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 172576454
2-(2,4,6-trimethylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696454
(2,5-dimethyl-6-phenylmethoxypyrimidin-4-yl)hydrazine
CID 80910056
4-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-one
CID 105432959
6-(benzenesulfonyl)-2-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135414487
2-(2,6-dichlorophenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696469
2-(1-methylimidazol-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696378

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 158425326) is 2-methyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is CS(=O)(=O)c1nc2c(c(OCc3ccccc3)n1)COCC2.Cc1nc2c(c(=O)[nH]1)COCC2.Cc1nc2c(c(OCc3ccccc3)n1)COCC2.
What is the InChIKey of 2-methyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is HAZCXXVFHKMBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S.C15H16N2O2.C8H10N2O2/c1-22(18,19)15-16-13-7-8-20-10-12(13)14(17-15)21-9-11-5-3-2-4-6-11;1-11-16-14-7-8-18-10-13(14)15(17-11)19-9-12-5-3-2-4-6-12;1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-6H,7-10H2,1H3;2-6H,7-10H2,1H3;2-4H2,1H3,(H,9,10,11).
What are the key properties of 2-methyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-methyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 742.86 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 158425326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).