6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]pyrimidine-2,4-diamine

C19H27N5O — CID 23628221

IUPAC6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)CCC2
InChIInChI=1S/C19H27N5O/c1-3-15-17(18(20)23-19(21)22-15)14-8-7-13-6-4-9-24(16(13)12-14)10-5-11-25-2/h7-8,12H,3-6,9-11H2,1-2H3,(H4,20,21,22,23)
InChIKeyAYPFLXLPOWWLSY-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.66
Rot. Bonds6

About 6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]pyrimidine-2,4-diamine

6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]pyrimidine-2,4-diamine (PubChem CID 23628221) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]pyrimidine-2,4-diamine
PubChem CID23628221
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)CCC2
InChIInChI=1S/C19H27N5O/c1-3-15-17(18(20)23-19(21)22-15)14-8-7-13-6-4-9-24(16(13)12-14)10-5-11-25-2/h7-8,12H,3-6,9-11H2,1-2H3,(H4,20,21,22,23)
InChIKeyAYPFLXLPOWWLSY-UHFFFAOYSA-N
XLogP2.66
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(Morpholin-4-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815439
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
6-ethyl-5-[9-(3-methoxypropyl)-9H-carbazol-2-yl]pyrimidine-2,4-diamine
CID 6914626
6-ethyl-5-[(2S)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine
CID 11963546
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
6-(4-Methylpiperazin-1-yl)-3,5-diazatricyclo[8.4.0.0^{2,7}]tetradeca-1(14),2,4,6,10,12-hexaen-4-amine
CID 25128822
4-(4-Methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 25129523
4-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzonitrile
CID 25130235
2-(4-Methylpiperazin-1-yl)quinazolin-4-amine
CID 1403136
Diethyl-(2-morpholin-4-yl-quinazolin-4-yl)-amine
CID 6457762
4-Quinazolinamine, 2-(4-morpholinyl)-
CID 660065
N-{2-[7-(2,4-diamino-6-ethylpyrimidin-5-yl)-1,2,3,4-tetrahydroquinolin-1-yl]ethyl}acetamide
CID 23628222

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]pyrimidine-2,4-diamine (CID 23628221) is 6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]pyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)CCC2.
What is the InChIKey of 6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]pyrimidine-2,4-diamine?
The InChIKey is AYPFLXLPOWWLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-3-15-17(18(20)23-19(21)22-15)14-8-7-13-6-4-9-24(16(13)12-14)10-5-11-25-2/h7-8,12H,3-6,9-11H2,1-2H3,(H4,20,21,22,23).
What are the key properties of 6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]pyrimidine-2,4-diamine?
6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]pyrimidine-2,4-diamine has a molecular weight of 341.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 23628221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).