5-chloro-6-ethyl-N-[1-(2-methylsulfanyl-3,4-dihydroquinolin-7-yl)ethyl]pyrimidin-4-amine

C18H21ClN4S — CID 54559846

IUPAC5-chloro-6-ethyl-N-[1-(2-methylsulfanyl-3,4-dihydroquinolin-7-yl)ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC(C)c2ccc3c(c2)N=C(SC)CC3)c1Cl
InChIInChI=1S/C18H21ClN4S/c1-4-14-17(19)18(21-10-20-14)22-11(2)13-6-5-12-7-8-16(24-3)23-15(12)9-13/h5-6,9-11H,4,7-8H2,1-3H3,(H,20,21,22)
InChIKeyZPTLWIDVXLXIOM-UHFFFAOYSA-N
MW360.91 g/mol
LogP5.20
Rot. Bonds4

About 5-chloro-6-ethyl-N-[1-(2-methylsulfanyl-3,4-dihydroquinolin-7-yl)ethyl]pyrimidin-4-amine

5-chloro-6-ethyl-N-[1-(2-methylsulfanyl-3,4-dihydroquinolin-7-yl)ethyl]pyrimidin-4-amine (PubChem CID 54559846) has the molecular formula C18H21ClN4S and a molecular weight of 360.91 g/mol. Its IUPAC name is 5-chloro-6-ethyl-N-[1-(2-methylsulfanyl-3,4-dihydroquinolin-7-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-ethyl-N-[1-(2-methylsulfanyl-3,4-dihydroquinolin-7-yl)ethyl]pyrimidin-4-amine
PubChem CID54559846
Molecular FormulaC18H21ClN4S
Molecular Weight360.91 g/mol
Exact Mass360.12
IUPAC Name5-chloro-6-ethyl-N-[1-(2-methylsulfanyl-3,4-dihydroquinolin-7-yl)ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC(C)c2ccc3c(c2)N=C(SC)CC3)c1Cl
InChIInChI=1S/C18H21ClN4S/c1-4-14-17(19)18(21-10-20-14)22-11(2)13-6-5-12-7-8-16(24-3)23-15(12)9-13/h5-6,9-11H,4,7-8H2,1-3H3,(H,20,21,22)
InChIKeyZPTLWIDVXLXIOM-UHFFFAOYSA-N
XLogP5.20
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.91
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-6-ethyl-N-[1-(2-methylsulfanyl-3,4-dihydroquinolin-7-yl)ethyl]pyrimidin-4-amine with MolForge

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Related Compounds

5-chloro-6-ethyl-N-[1-(3-methylsulfanyl-2H-1,4-benzoxazin-6-yl)ethyl]pyrimidin-4-amine
CID 67793318
5-chloro-6-ethyl-N-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine
CID 90131349
5-chloro-6-ethyl-N-[1-(4-trimethylsilylphenyl)propyl]pyrimidin-4-amine
CID 18948857
5-chloro-4-N-[1-(3,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 146091234
2-[(5-chloro-6-ethylpyrimidin-4-yl)amino]-2-[4-(3-methylpentan-3-yl)phenyl]ethanol
CID 67869536
5-chloro-6-ethyl-N-[1-[4-(4-fluorophenoxy)phenyl]propyl]pyrimidin-4-amine;hydrochloride
CID 19869650
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 133432283
4-N-[1-(4-chlorophenyl)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80802117
N'-(5-chloro-6-ethylpyrimidin-4-yl)-N-ethylethane-1,2-diamine
CID 117063434
6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine
CID 106193524
6-ethyl-5-fluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 113344408
5-chloro-6-ethyl-N-[1-(4-pyridin-3-yloxyphenyl)propyl]pyrimidin-4-amine
CID 15713601

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethyl-N-[1-(2-methylsulfanyl-3,4-dihydroquinolin-7-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-ethyl-N-[1-(2-methylsulfanyl-3,4-dihydroquinolin-7-yl)ethyl]pyrimidin-4-amine (CID 54559846) is 5-chloro-6-ethyl-N-[1-(2-methylsulfanyl-3,4-dihydroquinolin-7-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-ethyl-N-[1-(2-methylsulfanyl-3,4-dihydroquinolin-7-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-ethyl-N-[1-(2-methylsulfanyl-3,4-dihydroquinolin-7-yl)ethyl]pyrimidin-4-amine is CCc1ncnc(NC(C)c2ccc3c(c2)N=C(SC)CC3)c1Cl.
What is the InChIKey of 5-chloro-6-ethyl-N-[1-(2-methylsulfanyl-3,4-dihydroquinolin-7-yl)ethyl]pyrimidin-4-amine?
The InChIKey is ZPTLWIDVXLXIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4S/c1-4-14-17(19)18(21-10-20-14)22-11(2)13-6-5-12-7-8-16(24-3)23-15(12)9-13/h5-6,9-11H,4,7-8H2,1-3H3,(H,20,21,22).
What are the key properties of 5-chloro-6-ethyl-N-[1-(2-methylsulfanyl-3,4-dihydroquinolin-7-yl)ethyl]pyrimidin-4-amine?
5-chloro-6-ethyl-N-[1-(2-methylsulfanyl-3,4-dihydroquinolin-7-yl)ethyl]pyrimidin-4-amine has a molecular weight of 360.91 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-N-[1-(2-methylsulfanyl-3,4-dihydroquinolin-7-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 54559846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).