[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone

C19H28N6O2 — CID 56874495

IUPAC[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCc3c(nc(N(C)C)nc3N(C)C)C2)on1
InChIInChI=1S/C19H28N6O2/c1-12(2)9-13-10-16(27-22-13)18(26)25-8-7-14-15(11-25)20-19(24(5)6)21-17(14)23(3)4/h10,12H,7-9,11H2,1-6H3
InChIKeyIMRCVBDZFITQCY-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.99
Rot. Bonds5

About [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone

[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone (PubChem CID 56874495) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
PubChem CID56874495
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCc3c(nc(N(C)C)nc3N(C)C)C2)on1
InChIInChI=1S/C19H28N6O2/c1-12(2)9-13-10-16(27-22-13)18(26)25-8-7-14-15(11-25)20-19(24(5)6)21-17(14)23(3)4/h10,12H,7-9,11H2,1-6H3
InChIKeyIMRCVBDZFITQCY-UHFFFAOYSA-N
XLogP1.99
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
CID 56885502
2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-methylpyran-4-one
CID 118787331
[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,2-oxazol-3-yl)methanone
CID 118778160
6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 56888109
[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone
CID 56874672
[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-chloro-2-hydroxyphenyl)methanone
CID 56879838
5-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyrazin-2-one
CID 118771885
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
[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
(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
1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]cyclopropane-1-carboxamide
CID 56898722
[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 110105993

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone?
The IUPAC name of [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) is [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone is CC(C)Cc1cc(C(=O)N2CCc3c(nc(N(C)C)nc3N(C)C)C2)on1.
What is the InChIKey of [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone?
The InChIKey is IMRCVBDZFITQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-12(2)9-13-10-16(27-22-13)18(26)25-8-7-14-15(11-25)20-19(24(5)6)21-17(14)23(3)4/h10,12H,7-9,11H2,1-6H3.
What are the key properties of [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone?
[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 56874495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).