2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-methylpyran-4-one

C18H23N5O3 — CID 118787331

IUPAC2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-methylpyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCc3c(nc(N(C)C)nc3N(C)C)C2)o1
InChIInChI=1S/C18H23N5O3/c1-11-8-12(24)9-15(26-11)17(25)23-7-6-13-14(10-23)19-18(22(4)5)20-16(13)21(2)3/h8-9H,6-7,10H2,1-5H3
InChIKeyBLVSWQQGJIHXKW-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.07
Rot. Bonds3

About 2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-methylpyran-4-one

2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-methylpyran-4-one (PubChem CID 118787331) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-methylpyran-4-one.

Molecular Properties

Compound Name2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-methylpyran-4-one
PubChem CID118787331
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-methylpyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCc3c(nc(N(C)C)nc3N(C)C)C2)o1
InChIInChI=1S/C18H23N5O3/c1-11-8-12(24)9-15(26-11)17(25)23-7-6-13-14(10-23)19-18(22(4)5)20-16(13)21(2)3/h8-9H,6-7,10H2,1-5H3
InChIKeyBLVSWQQGJIHXKW-UHFFFAOYSA-N
XLogP1.07
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-methylpyran-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

[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 56874495
[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,2-oxazol-3-yl)methanone
CID 118778160
5-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyrazin-2-one
CID 118771885
[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-chloro-2-hydroxyphenyl)methanone
CID 56879838
[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 56861916
[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 118780550
[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone
CID 56874672
1-[2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-oxoethyl]pyridin-2-one
CID 118793652
1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]cyclopropane-1-carboxamide
CID 56898722
1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
CID 56880084
(2R)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-morpholin-4-ylbutan-1-one
CID 95559807
2-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine-7-carbonyl)-6-methylpyran-4-one
CID 163315017

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-methylpyran-4-one?
The IUPAC name of 2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-methylpyran-4-one (CID 118787331) is 2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-methylpyran-4-one.
What is the SMILES notation for 2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-methylpyran-4-one?
The canonical SMILES for 2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-methylpyran-4-one is Cc1cc(=O)cc(C(=O)N2CCc3c(nc(N(C)C)nc3N(C)C)C2)o1.
What is the InChIKey of 2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-methylpyran-4-one?
The InChIKey is BLVSWQQGJIHXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-11-8-12(24)9-15(26-11)17(25)23-7-6-13-14(10-23)19-18(22(4)5)20-16(13)21(2)3/h8-9H,6-7,10H2,1-5H3.
What are the key properties of 2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-methylpyran-4-one?
2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-methylpyran-4-one has a molecular weight of 357.41 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-methylpyran-4-one is sourced from PubChem (CID 118787331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).