1-[2-(dimethylamino)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

C17H24N6O2 — CID 56876015

IUPAC1-[2-(dimethylamino)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCC(=O)N1CCc2c(nc(N(C)C)nc2NCc2c(C)noc2C)C1
InChIInChI=1S/C17H24N6O2/c1-10-14(11(2)25-21-10)8-18-16-13-6-7-23(12(3)24)9-15(13)19-17(20-16)22(4)5/h6-9H2,1-5H3,(H,18,19,20)
InChIKeyMWGDZCWLIPFBQM-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.66
Rot. Bonds4

About 1-[2-(dimethylamino)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

1-[2-(dimethylamino)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (PubChem CID 56876015) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-(dimethylamino)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
PubChem CID56876015
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-[2-(dimethylamino)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCC(=O)N1CCc2c(nc(N(C)C)nc2NCc2c(C)noc2C)C1
InChIInChI=1S/C17H24N6O2/c1-10-14(11(2)25-21-10)8-18-16-13-6-7-23(12(3)24)9-15(13)19-17(20-16)22(4)5/h6-9H2,1-5H3,(H,18,19,20)
InChIKeyMWGDZCWLIPFBQM-UHFFFAOYSA-N
XLogP1.66
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 71696038
N-methyl-6-[(3-methylisoxazol-5-yl)methyl]-4-(pyrrolidin-1-ylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 72906506
N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 53185780
8-[2-(3,5-Dimethyl-1,2-oxazol-4-YL)ethyl]-4-methyl-5H,6H,7H,8H-pyrido[2,3-D]pyrimidin-7-one
CID 53193750
(3,5-Dimethylisoxazol-4-yl)(4-(2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 91631600
N-(cyclopropylmethyl)-6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 122156220
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
CID 65998628
2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 65999630
2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 65999818
3,5-dimethyl-N-(1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)isoxazole-4-carboxamide
CID 91817779
2-(3,5-dimethylisoxazol-4-yl)-N-(1-(2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)acetamide
CID 91817810
N-[(3,5-dimethylisoxazol-4-yl)methyl]-N-methyl-N'-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}urea
CID 121508406

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The IUPAC name of 1-[2-(dimethylamino)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (CID 56876015) is 1-[2-(dimethylamino)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.
What is the SMILES notation for 1-[2-(dimethylamino)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The canonical SMILES for 1-[2-(dimethylamino)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is CC(=O)N1CCc2c(nc(N(C)C)nc2NCc2c(C)noc2C)C1.
What is the InChIKey of 1-[2-(dimethylamino)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The InChIKey is MWGDZCWLIPFBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-10-14(11(2)25-21-10)8-18-16-13-6-7-23(12(3)24)9-15(13)19-17(20-16)22(4)5/h6-9H2,1-5H3,(H,18,19,20).
What are the key properties of 1-[2-(dimethylamino)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
1-[2-(dimethylamino)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone has a molecular weight of 344.42 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 56876015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).