N-ethyl-5-methyl-4-quinolin-3-yloxypyrimidin-2-amine

C16H16N4O — CID 107388463

IUPACN-ethyl-5-methyl-4-quinolin-3-yloxypyrimidin-2-amine
SMILESCCNc1ncc(C)c(Oc2cnc3ccccc3c2)n1
InChIInChI=1S/C16H16N4O/c1-3-17-16-19-9-11(2)15(20-16)21-13-8-12-6-4-5-7-14(12)18-10-13/h4-10H,3H2,1-2H3,(H,17,19,20)
InChIKeyACSKBMSFCRCXLP-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.56
Rot. Bonds4

About N-ethyl-5-methyl-4-quinolin-3-yloxypyrimidin-2-amine

N-ethyl-5-methyl-4-quinolin-3-yloxypyrimidin-2-amine (PubChem CID 107388463) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-ethyl-5-methyl-4-quinolin-3-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-4-quinolin-3-yloxypyrimidin-2-amine
PubChem CID107388463
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-ethyl-5-methyl-4-quinolin-3-yloxypyrimidin-2-amine
SMILESCCNc1ncc(C)c(Oc2cnc3ccccc3c2)n1
InChIInChI=1S/C16H16N4O/c1-3-17-16-19-9-11(2)15(20-16)21-13-8-12-6-4-5-7-14(12)18-10-13/h4-10H,3H2,1-2H3,(H,17,19,20)
InChIKeyACSKBMSFCRCXLP-UHFFFAOYSA-N
XLogP3.56
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-dimethyl-4-quinolin-3-yloxypyrimidin-2-amine
CID 107388464
5-methyl-4-quinolin-3-yloxypyrimidin-2-amine
CID 107388419
4-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80874250
N-ethyl-4-(4-iodophenoxy)-5-methylpyrimidin-2-amine
CID 80881024
4-(4-bromophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864511
4-(2-chlorophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864516
N-ethyl-4-[3-(methoxymethyl)phenoxy]-5-methylpyrimidin-2-amine
CID 80876421
N-ethyl-5-quinolin-3-yloxypyridin-3-amine
CID 107388436
N-ethyl-5-methyl-4-(1-phenylethoxy)pyrimidin-2-amine
CID 80859942
N-ethyl-5-methyl-4-(2,3,5-trimethylphenoxy)pyrimidin-2-amine
CID 80881682
N-ethyl-4-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-2-amine
CID 80881136
5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine
CID 80869054

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-4-quinolin-3-yloxypyrimidin-2-amine?
The IUPAC name of N-ethyl-5-methyl-4-quinolin-3-yloxypyrimidin-2-amine (CID 107388463) is N-ethyl-5-methyl-4-quinolin-3-yloxypyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-methyl-4-quinolin-3-yloxypyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-methyl-4-quinolin-3-yloxypyrimidin-2-amine is CCNc1ncc(C)c(Oc2cnc3ccccc3c2)n1.
What is the InChIKey of N-ethyl-5-methyl-4-quinolin-3-yloxypyrimidin-2-amine?
The InChIKey is ACSKBMSFCRCXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-3-17-16-19-9-11(2)15(20-16)21-13-8-12-6-4-5-7-14(12)18-10-13/h4-10H,3H2,1-2H3,(H,17,19,20).
What are the key properties of N-ethyl-5-methyl-4-quinolin-3-yloxypyrimidin-2-amine?
N-ethyl-5-methyl-4-quinolin-3-yloxypyrimidin-2-amine has a molecular weight of 280.33 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-4-quinolin-3-yloxypyrimidin-2-amine is sourced from PubChem (CID 107388463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).