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

C27H35N5O — CID 6914632

IUPAC6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(NCCc2ccccc2)c1-c1ccc2c(c1)N(CCCOC)CCC2
InChIInChI=1S/C27H35N5O/c1-3-23-25(26(31-27(28)30-23)29-15-14-20-9-5-4-6-10-20)22-13-12-21-11-7-16-32(24(21)19-22)17-8-18-33-2/h4-6,9-10,12-13,19H,3,7-8,11,14-18H2,1-2H3,(H3,28,29,30,31)
InChIKeyDGNIHJBLLNEWQZ-UHFFFAOYSA-N
MW445.61 g/mol
LogP4.73
Rot. Bonds10

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

6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]-4-N-(2-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 6914632) has the molecular formula C27H35N5O and a molecular weight of 445.61 g/mol. Its IUPAC name is 6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]-4-N-(2-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
PubChem CID6914632
Molecular FormulaC27H35N5O
Molecular Weight445.61 g/mol
Exact Mass445.28
IUPAC Name6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(NCCc2ccccc2)c1-c1ccc2c(c1)N(CCCOC)CCC2
InChIInChI=1S/C27H35N5O/c1-3-23-25(26(31-27(28)30-23)29-15-14-20-9-5-4-6-10-20)22-13-12-21-11-7-16-32(24(21)19-22)17-8-18-33-2/h4-6,9-10,12-13,19H,3,7-8,11,14-18H2,1-2H3,(H3,28,29,30,31)
InChIKeyDGNIHJBLLNEWQZ-UHFFFAOYSA-N
XLogP4.73
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]-4-N-(2-phenylethyl)pyrimidine-2,4-diamine (CID 6914632) is 6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]-4-N-(2-phenylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]-4-N-(2-phenylethyl)pyrimidine-2,4-diamine is CCc1nc(N)nc(NCCc2ccccc2)c1-c1ccc2c(c1)N(CCCOC)CCC2.
What is the InChIKey of 6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The InChIKey is DGNIHJBLLNEWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O/c1-3-23-25(26(31-27(28)30-23)29-15-14-20-9-5-4-6-10-20)22-13-12-21-11-7-16-32(24(21)19-22)17-8-18-33-2/h4-6,9-10,12-13,19H,3,7-8,11,14-18H2,1-2H3,(H3,28,29,30,31).
What are the key properties of 6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]-4-N-(2-phenylethyl)pyrimidine-2,4-diamine has a molecular weight of 445.61 g/mol, XLogP of 4.73, 10 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]-4-N-(2-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 6914632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).