5-chloro-N-ethyl-4-quinolin-5-yloxypyrimidin-2-amine

C15H13ClN4O — CID 103046129

IUPAC5-chloro-N-ethyl-4-quinolin-5-yloxypyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(Oc2cccc3ncccc23)n1
InChIInChI=1S/C15H13ClN4O/c1-2-17-15-19-9-11(16)14(20-15)21-13-7-3-6-12-10(13)5-4-8-18-12/h3-9H,2H2,1H3,(H,17,19,20)
InChIKeyBDGFWWCMGOLDBP-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.90
Rot. Bonds4

About 5-chloro-N-ethyl-4-quinolin-5-yloxypyrimidin-2-amine

5-chloro-N-ethyl-4-quinolin-5-yloxypyrimidin-2-amine (PubChem CID 103046129) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4-quinolin-5-yloxypyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-4-quinolin-5-yloxypyrimidin-2-amine
PubChem CID103046129
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name5-chloro-N-ethyl-4-quinolin-5-yloxypyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(Oc2cccc3ncccc23)n1
InChIInChI=1S/C15H13ClN4O/c1-2-17-15-19-9-11(16)14(20-15)21-13-7-3-6-12-10(13)5-4-8-18-12/h3-9H,2H2,1H3,(H,17,19,20)
InChIKeyBDGFWWCMGOLDBP-UHFFFAOYSA-N
XLogP3.90
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine
CID 80869054
5-chloro-2-N-ethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine
CID 80747986
5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine
CID 80869450
2-[5-chloro-2-(ethylamino)pyrimidin-4-yl]oxybenzamide
CID 80862531
4-(2-chlorophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864516
N-ethyl-5-methyl-4-quinolin-5-ylpyrimidin-2-amine
CID 81221672
5-chloro-N-ethyl-4-(4-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80863200
5-(6-chloro-5-propylpyrimidin-4-yl)oxyquinoline
CID 103044702
5-chloro-4-(2-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80869484
5-chloro-N-ethyl-4-(1-ethylpyrazol-4-yl)oxypyrimidin-2-amine
CID 116806063
5-chloro-N-ethyl-4-(3-nitrophenoxy)pyrimidin-2-amine
CID 80871947
5-chloro-N-ethyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80874170

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-4-quinolin-5-yloxypyrimidin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-4-quinolin-5-yloxypyrimidin-2-amine (CID 103046129) is 5-chloro-N-ethyl-4-quinolin-5-yloxypyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-4-quinolin-5-yloxypyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-4-quinolin-5-yloxypyrimidin-2-amine is CCNc1ncc(Cl)c(Oc2cccc3ncccc23)n1.
What is the InChIKey of 5-chloro-N-ethyl-4-quinolin-5-yloxypyrimidin-2-amine?
The InChIKey is BDGFWWCMGOLDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-2-17-15-19-9-11(16)14(20-15)21-13-7-3-6-12-10(13)5-4-8-18-12/h3-9H,2H2,1H3,(H,17,19,20).
What are the key properties of 5-chloro-N-ethyl-4-quinolin-5-yloxypyrimidin-2-amine?
5-chloro-N-ethyl-4-quinolin-5-yloxypyrimidin-2-amine has a molecular weight of 300.75 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-4-quinolin-5-yloxypyrimidin-2-amine is sourced from PubChem (CID 103046129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).