1,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrimidine-5-sulfonamide

C20H23N5O6S — CID 135881510

IUPAC1,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)c(=O)n(C)c1=O
InChIInChI=1S/C20H23N5O6S/c1-23-11-16(19(27)24(2)20(23)28)32(29,30)25(10-13-6-5-9-31-13)12-17-21-15-8-4-3-7-14(15)18(26)22-17/h3-4,7-8,11,13H,5-6,9-10,12H2,1-2H3,(H,21,22,26)/t13-/m1/s1
InChIKeyDSCOGRRTEBPPKJ-CYBMUJFWSA-N
MW461.50 g/mol
LogP-0.31
Rot. Bonds6

About 1,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrimidine-5-sulfonamide

1,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrimidine-5-sulfonamide (PubChem CID 135881510) has the molecular formula C20H23N5O6S and a molecular weight of 461.50 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrimidine-5-sulfonamide
PubChem CID135881510
Molecular FormulaC20H23N5O6S
Molecular Weight461.50 g/mol
Exact Mass461.14
IUPAC Name1,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)c(=O)n(C)c1=O
InChIInChI=1S/C20H23N5O6S/c1-23-11-16(19(27)24(2)20(23)28)32(29,30)25(10-13-6-5-9-31-13)12-17-21-15-8-4-3-7-14(15)18(26)22-17/h3-4,7-8,11,13H,5-6,9-10,12H2,1-2H3,(H,21,22,26)/t13-/m1/s1
InChIKeyDSCOGRRTEBPPKJ-CYBMUJFWSA-N
XLogP-0.31
TPSA136.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrimidine-5-sulfonamide with MolForge

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Related Compounds

N,1,3-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrimidine-5-sulfonamide
CID 131931431
2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 135808114
N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,2-diphenylacetamide
CID 136772433
2-[[1,3-benzoxazol-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 135941862
2-[[oxolan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-quinazolin-4-one
CID 135928644
3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135959744
N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenoxyacetamide
CID 135830344
5-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 135616548
3-(2-methylphenyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]thiourea
CID 135789311
2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135888215
N,4-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyridine-3-carboxamide
CID 172662468
3-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 135715107

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrimidine-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrimidine-5-sulfonamide (CID 135881510) is 1,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrimidine-5-sulfonamide is Cn1cc(S(=O)(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrimidine-5-sulfonamide?
The InChIKey is DSCOGRRTEBPPKJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23N5O6S/c1-23-11-16(19(27)24(2)20(23)28)32(29,30)25(10-13-6-5-9-31-13)12-17-21-15-8-4-3-7-14(15)18(26)22-17/h3-4,7-8,11,13H,5-6,9-10,12H2,1-2H3,(H,21,22,26)/t13-/m1/s1.
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrimidine-5-sulfonamide?
1,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrimidine-5-sulfonamide has a molecular weight of 461.50 g/mol, XLogP of -0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 135881510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).