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

C17H17N5O — CID 112902442

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(Nc2ccnc(N3CCCc4ccccc43)n2)no1
InChIInChI=1S/C17H17N5O/c1-12-11-16(21-23-12)19-15-8-9-18-17(20-15)22-10-4-6-13-5-2-3-7-14(13)22/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,18,19,20,21)
InChIKeyTZTHOWRIMRAGSD-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.60
Rot. Bonds3

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

N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine (PubChem CID 112902442) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
PubChem CID112902442
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(Nc2ccnc(N3CCCc4ccccc43)n2)no1
InChIInChI=1S/C17H17N5O/c1-12-11-16(21-23-12)19-15-8-9-18-17(20-15)22-10-4-6-13-5-2-3-7-14(13)22/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,18,19,20,21)
InChIKeyTZTHOWRIMRAGSD-UHFFFAOYSA-N
XLogP3.60
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
CID 112877336
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
CID 112898551
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112902414
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109219730
N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 112902403
N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887033
N-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 112891691
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109197953
N-cycloheptyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine
CID 112924885
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112902288
2-(2,3-dihydroindol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109266221
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-3,4-dihydro-2H-quinoline
CID 112898916

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine (CID 112902442) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine is Cc1cc(Nc2ccnc(N3CCCc4ccccc43)n2)no1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine?
The InChIKey is TZTHOWRIMRAGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-12-11-16(21-23-12)19-15-8-9-18-17(20-15)22-10-4-6-13-5-2-3-7-14(13)22/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,18,19,20,21).
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine has a molecular weight of 307.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 112902442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).