[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-propylphenyl)methanone

C20H26N4O — CID 56893259

IUPAC[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)N2CCc3c(nc(C)nc3N(C)C)C2)cc1
InChIInChI=1S/C20H26N4O/c1-5-6-15-7-9-16(10-8-15)20(25)24-12-11-17-18(13-24)21-14(2)22-19(17)23(3)4/h7-10H,5-6,11-13H2,1-4H3
InChIKeyABDOTTJDEVNVPH-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.00
Rot. Bonds4

About [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-propylphenyl)methanone

[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-propylphenyl)methanone (PubChem CID 56893259) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-propylphenyl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-propylphenyl)methanone
PubChem CID56893259
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)N2CCc3c(nc(C)nc3N(C)C)C2)cc1
InChIInChI=1S/C20H26N4O/c1-5-6-15-7-9-16(10-8-15)20(25)24-12-11-17-18(13-24)21-14(2)22-19(17)23(3)4/h7-10H,5-6,11-13H2,1-4H3
InChIKeyABDOTTJDEVNVPH-UHFFFAOYSA-N
XLogP3.00
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-propylphenyl)methanone?
The IUPAC name of [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-propylphenyl)methanone (CID 56893259) is [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-propylphenyl)methanone.
What is the SMILES notation for [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-propylphenyl)methanone?
The canonical SMILES for [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-propylphenyl)methanone is CCCc1ccc(C(=O)N2CCc3c(nc(C)nc3N(C)C)C2)cc1.
What is the InChIKey of [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-propylphenyl)methanone?
The InChIKey is ABDOTTJDEVNVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-5-6-15-7-9-16(10-8-15)20(25)24-12-11-17-18(13-24)21-14(2)22-19(17)23(3)4/h7-10H,5-6,11-13H2,1-4H3.
What are the key properties of [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-propylphenyl)methanone?
[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-propylphenyl)methanone has a molecular weight of 338.46 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-propylphenyl)methanone is sourced from PubChem (CID 56893259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).