4-methylidene-3-propan-2-yl-1H-quinazolin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,2-d]pyrimidin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,4-d]pyrimidin-2-one;1-propan-2-yl-3,7-dihydropurine-2,6-dione;3-propan-2-yl-1H-pyrido[3,4-d]pyrimidine-2,4-dione;3-propan-2-yl-1H-pyrido[4,3-d]pyrimidine-2,4-dione

C60H70N16O9S2 — CID 157094298

About 4-methylidene-3-propan-2-yl-1H-quinazolin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,2-d]pyrimidin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,4-d]pyrimidin-2-one;1-propan-2-yl-3,7-dihydropurine-2,6-dione;3-propan-2-yl-1H-pyrido[3,4-d]pyrimidine-2,4-dione;3-propan-2-yl-1H-pyrido[4,3-d]pyrimidine-2,4-dione

4-methylidene-3-propan-2-yl-1H-quinazolin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,2-d]pyrimidin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,4-d]pyrimidin-2-one;1-propan-2-yl-3,7-dihydropurine-2,6-dione;3-propan-2-yl-1H-pyrido[3,4-d]pyrimidine-2,4-dione;3-propan-2-yl-1H-pyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 157094298) has the molecular formula C60H70N16O9S2 and a molecular weight of 1223.46 g/mol. Its IUPAC name is 4-methylidene-3-propan-2-yl-1H-quinazolin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,2-d]pyrimidin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,4-d]pyrimidin-2-one;1-propan-2-yl-3,7-dihydropurine-2,6-dione;3-propan-2-yl-1H-pyrido[3,4-d]pyrimidine-2,4-dione;3-propan-2-yl-1H-pyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 4-methylidene-3-propan-2-yl-1H-quinazolin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,2-d]pyrimidin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,4-d]pyrimidin-2-one;1-propan-2-yl-3,7-dihydropurine-2,6-dione;3-propan-2-yl-1H-pyrido[3,4-d]pyrimidine-2,4-dione;3-propan-2-yl-1H-pyrido[4,3-d]pyrimidine-2,4-dione
• PubChem CID: 157094298
• Molecular Formula: C60H70N16O9S2
• Molecular Weight: 1223.46 g/mol
• Exact Mass: 1222.50
• IUPAC Name: 4-methylidene-3-propan-2-yl-1H-quinazolin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,2-d]pyrimidin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,4-d]pyrimidin-2-one;1-propan-2-yl-3,7-dihydropurine-2,6-dione;3-propan-2-yl-1H-pyrido[3,4-d]pyrimidine-2,4-dione;3-propan-2-yl-1H-pyrido[4,3-d]pyrimidine-2,4-dione
• SMILES: C=C1c2ccccc2NC(=O)N1C(C)C.C=C1c2cscc2NC(=O)N1C(C)C.C=C1c2sccc2NC(=O)N1C(C)C.CC(C)n1c(=O)[nH]c2ccncc2c1=O.CC(C)n1c(=O)[nH]c2cnccc2c1=O.CC(C)n1c(=O)[nH]c2nc[nH]c2c1=O
• InChI: InChI=1S/C12H14N2O.2C10H11N3O2.2C10H12N2OS.C8H10N4O2/c1-8(2)14-9(3)10-6-4-5-7-11(10)13-12(14)15;1-6(2)13-9(14)7-5-11-4-3-8(7)12-10(13)15;1-6(2)13-9(14)7-3-4-11-5-8(7)12-10(13)15;1-6(2)12-7(3)8-4-14-5-9(8)11-10(12)13;1-6(2)12-7(3)9-8(4-5-14-9)11-10(12)13;1-4(2)12-7(13)5-6(10-3-9-5)11-8(12)14/h4-8H,3H2,1-2H3,(H,13,15);2*3-6H,1-2H3,(H,12,15);2*4-6H,3H2,1-2H3,(H,11,13);3-4H,1-2H3,(H,9,10)(H,11,14)
• InChIKey: AFAIZLIYQVNKGZ-UHFFFAOYSA-N
• XLogP: 10.19
• TPSA: 316.06 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 6
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1223.46
LogP ≤ 5	10.19
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-3-propan-2-yl-1H-quinazolin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,2-d]pyrimidin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,4-d]pyrimidin-2-one;1-propan-2-yl-3,7-dihydropurine-2,6-dione;3-propan-2-yl-1H-pyrido[3,4-d]pyrimidine-2,4-dione;3-propan-2-yl-1H-pyrido[4,3-d]pyrimidine-2,4-dione?

The IUPAC name of 4-methylidene-3-propan-2-yl-1H-quinazolin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,2-d]pyrimidin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,4-d]pyrimidin-2-one;1-propan-2-yl-3,7-dihydropurine-2,6-dione;3-propan-2-yl-1H-pyrido[3,4-d]pyrimidine-2,4-dione;3-propan-2-yl-1H-pyrido[4,3-d]pyrimidine-2,4-dione (CID 157094298) is 4-methylidene-3-propan-2-yl-1H-quinazolin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,2-d]pyrimidin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,4-d]pyrimidin-2-one;1-propan-2-yl-3,7-dihydropurine-2,6-dione;3-propan-2-yl-1H-pyrido[3,4-d]pyrimidine-2,4-dione;3-propan-2-yl-1H-pyrido[4,3-d]pyrimidine-2,4-dione.

What is the SMILES notation for 4-methylidene-3-propan-2-yl-1H-quinazolin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,2-d]pyrimidin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,4-d]pyrimidin-2-one;1-propan-2-yl-3,7-dihydropurine-2,6-dione;3-propan-2-yl-1H-pyrido[3,4-d]pyrimidine-2,4-dione;3-propan-2-yl-1H-pyrido[4,3-d]pyrimidine-2,4-dione?

The canonical SMILES for 4-methylidene-3-propan-2-yl-1H-quinazolin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,2-d]pyrimidin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,4-d]pyrimidin-2-one;1-propan-2-yl-3,7-dihydropurine-2,6-dione;3-propan-2-yl-1H-pyrido[3,4-d]pyrimidine-2,4-dione;3-propan-2-yl-1H-pyrido[4,3-d]pyrimidine-2,4-dione is C=C1c2ccccc2NC(=O)N1C(C)C.C=C1c2cscc2NC(=O)N1C(C)C.C=C1c2sccc2NC(=O)N1C(C)C.CC(C)n1c(=O)[nH]c2ccncc2c1=O.CC(C)n1c(=O)[nH]c2cnccc2c1=O.CC(C)n1c(=O)[nH]c2nc[nH]c2c1=O.

What is the InChIKey of 4-methylidene-3-propan-2-yl-1H-quinazolin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,2-d]pyrimidin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,4-d]pyrimidin-2-one;1-propan-2-yl-3,7-dihydropurine-2,6-dione;3-propan-2-yl-1H-pyrido[3,4-d]pyrimidine-2,4-dione;3-propan-2-yl-1H-pyrido[4,3-d]pyrimidine-2,4-dione?

The InChIKey is AFAIZLIYQVNKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.2C10H11N3O2.2C10H12N2OS.C8H10N4O2/c1-8(2)14-9(3)10-6-4-5-7-11(10)13-12(14)15;1-6(2)13-9(14)7-5-11-4-3-8(7)12-10(13)15;1-6(2)13-9(14)7-3-4-11-5-8(7)12-10(13)15;1-6(2)12-7(3)8-4-14-5-9(8)11-10(12)13;1-6(2)12-7(3)9-8(4-5-14-9)11-10(12)13;1-4(2)12-7(13)5-6(10-3-9-5)11-8(12)14/h4-8H,3H2,1-2H3,(H,13,15);2*3-6H,1-2H3,(H,12,15);2*4-6H,3H2,1-2H3,(H,11,13);3-4H,1-2H3,(H,9,10)(H,11,14).

What are the key properties of 4-methylidene-3-propan-2-yl-1H-quinazolin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,2-d]pyrimidin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,4-d]pyrimidin-2-one;1-propan-2-yl-3,7-dihydropurine-2,6-dione;3-propan-2-yl-1H-pyrido[3,4-d]pyrimidine-2,4-dione;3-propan-2-yl-1H-pyrido[4,3-d]pyrimidine-2,4-dione?

4-methylidene-3-propan-2-yl-1H-quinazolin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,2-d]pyrimidin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,4-d]pyrimidin-2-one;1-propan-2-yl-3,7-dihydropurine-2,6-dione;3-propan-2-yl-1H-pyrido[3,4-d]pyrimidine-2,4-dione;3-propan-2-yl-1H-pyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 1223.46 g/mol, XLogP of 10.19, 6 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methylidene-3-propan-2-yl-1H-quinazolin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,2-d]pyrimidin-2-one;4-methylidene-3-propan-2-yl-1H-thieno[3,4-d]pyrimidin-2-one;1-propan-2-yl-3,7-dihydropurine-2,6-dione;3-propan-2-yl-1H-pyrido[3,4-d]pyrimidine-2,4-dione;3-propan-2-yl-1H-pyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 157094298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).