7-[[4-amino-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-yl]amino]-2-methyl-1,4-dihydroisoquinolin-3-one

C18H18N6O2 — CID 167516962

IUPAC7-[[4-amino-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-yl]amino]-2-methyl-1,4-dihydroisoquinolin-3-one
SMILESCc1cnc(-c2cnc(Nc3ccc4c(c3)CN(C)C(=O)C4)nc2N)o1
InChIInChI=1S/C18H18N6O2/c1-10-7-20-17(26-10)14-8-21-18(23-16(14)19)22-13-4-3-11-6-15(25)24(2)9-12(11)5-13/h3-5,7-8H,6,9H2,1-2H3,(H3,19,21,22,23)
InChIKeyKQGARDVEAACQGI-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.28
Rot. Bonds3

About 7-[[4-amino-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-yl]amino]-2-methyl-1,4-dihydroisoquinolin-3-one

7-[[4-amino-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-yl]amino]-2-methyl-1,4-dihydroisoquinolin-3-one (PubChem CID 167516962) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 7-[[4-amino-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-yl]amino]-2-methyl-1,4-dihydroisoquinolin-3-one.

Molecular Properties

Compound Name7-[[4-amino-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-yl]amino]-2-methyl-1,4-dihydroisoquinolin-3-one
PubChem CID167516962
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name7-[[4-amino-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-yl]amino]-2-methyl-1,4-dihydroisoquinolin-3-one
SMILESCc1cnc(-c2cnc(Nc3ccc4c(c3)CN(C)C(=O)C4)nc2N)o1
InChIInChI=1S/C18H18N6O2/c1-10-7-20-17(26-10)14-8-21-18(23-16(14)19)22-13-4-3-11-6-15(25)24(2)9-12(11)5-13/h3-5,7-8H,6,9H2,1-2H3,(H3,19,21,22,23)
InChIKeyKQGARDVEAACQGI-UHFFFAOYSA-N
XLogP2.28
TPSA110.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[[4-amino-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-yl]amino]-2-methyl-1,4-dihydroisoquinolin-3-one with MolForge

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Related Compounds

7-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]amino]-2-methyl-1,4-dihydroisoquinolin-3-one
CID 167517486
7-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pyrimidin-2-yl]amino]-2-methyl-1,4-dihydroisoquinolin-3-one
CID 167516541
7-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-yl]amino]-2-methyl-1,4-dihydroisoquinolin-3-one
CID 167517532
5-[[4-amino-5-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-3,3-dimethyl-2-benzofuran-1-one
CID 168902968
6-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-yl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one
CID 167517068
ethanol;ethyl 4-amino-2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)amino]pyrimidine-5-carboxylate
CID 167516983
2-N-(3-fluoro-4-methylsulfonylphenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-2,4-diamine
CID 167517434
5-[[5-methyl-2-[[2-(3-methylbutyl)-1,3-dihydroisoindol-5-yl]amino]pyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66659593
5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 167517003
5-[[5-chloro-2-[(3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-7-yl)amino]pyrimidin-4-yl]amino]-1-methylpyrazole-4-carboxylic acid
CID 123433099
4-[[4-amino-5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]-N,N,2-trimethylbenzamide
CID 167517039
9-chloro-5,11-dimethyl-2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 162026501

Frequently Asked Questions

What is the IUPAC name of 7-[[4-amino-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-yl]amino]-2-methyl-1,4-dihydroisoquinolin-3-one?
The IUPAC name of 7-[[4-amino-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-yl]amino]-2-methyl-1,4-dihydroisoquinolin-3-one (CID 167516962) is 7-[[4-amino-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-yl]amino]-2-methyl-1,4-dihydroisoquinolin-3-one.
What is the SMILES notation for 7-[[4-amino-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-yl]amino]-2-methyl-1,4-dihydroisoquinolin-3-one?
The canonical SMILES for 7-[[4-amino-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-yl]amino]-2-methyl-1,4-dihydroisoquinolin-3-one is Cc1cnc(-c2cnc(Nc3ccc4c(c3)CN(C)C(=O)C4)nc2N)o1.
What is the InChIKey of 7-[[4-amino-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-yl]amino]-2-methyl-1,4-dihydroisoquinolin-3-one?
The InChIKey is KQGARDVEAACQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-10-7-20-17(26-10)14-8-21-18(23-16(14)19)22-13-4-3-11-6-15(25)24(2)9-12(11)5-13/h3-5,7-8H,6,9H2,1-2H3,(H3,19,21,22,23).
What are the key properties of 7-[[4-amino-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-yl]amino]-2-methyl-1,4-dihydroisoquinolin-3-one?
7-[[4-amino-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-yl]amino]-2-methyl-1,4-dihydroisoquinolin-3-one has a molecular weight of 350.38 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-amino-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-yl]amino]-2-methyl-1,4-dihydroisoquinolin-3-one is sourced from PubChem (CID 167516962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).