N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine

C18H19N5O — CID 112877336

IUPACN-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1nc(Nc2cc(C)on2)cc(N2CCCc3ccccc32)n1
InChIInChI=1S/C18H19N5O/c1-12-10-17(22-24-12)21-16-11-18(20-13(2)19-16)23-9-5-7-14-6-3-4-8-15(14)23/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H,19,20,21,22)
InChIKeySCNQAUKPVKANLV-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.91
Rot. Bonds3

About N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine

N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine (PubChem CID 112877336) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
PubChem CID112877336
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1nc(Nc2cc(C)on2)cc(N2CCCc3ccccc32)n1
InChIInChI=1S/C18H19N5O/c1-12-10-17(22-24-12)21-16-11-18(20-13(2)19-16)23-9-5-7-14-6-3-4-8-15(14)23/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H,19,20,21,22)
InChIKeySCNQAUKPVKANLV-UHFFFAOYSA-N
XLogP3.91
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine with MolForge

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Related Compounds

N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
CID 112902442
4-[[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193280
2-[[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877330
6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112877083
N-(4-bromophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine
CID 112877245
6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 112877270
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112874295
ethyl 2-[[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112877329
N-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine
CID 112876028
3-[[6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877287
1-[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112877328
1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112868870

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine (CID 112877336) is N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine is Cc1nc(Nc2cc(C)on2)cc(N2CCCc3ccccc32)n1.
What is the InChIKey of N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine?
The InChIKey is SCNQAUKPVKANLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-10-17(22-24-12)21-16-11-18(20-13(2)19-16)23-9-5-7-14-6-3-4-8-15(14)23/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H,19,20,21,22).
What are the key properties of N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine?
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine has a molecular weight of 321.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 112877336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).