4-N-ethyl-6-N-(3-methoxypropyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine

C18H26N4O — CID 112869812

IUPAC4-N-ethyl-6-N-(3-methoxypropyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
SMILESCCN(c1cccc(C)c1)c1cc(NCCCOC)nc(C)n1
InChIInChI=1S/C18H26N4O/c1-5-22(16-9-6-8-14(2)12-16)18-13-17(20-15(3)21-18)19-10-7-11-23-4/h6,8-9,12-13H,5,7,10-11H2,1-4H3,(H,19,20,21)
InChIKeyZCGDIPODZKHOCY-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.70
Rot. Bonds8

About 4-N-ethyl-6-N-(3-methoxypropyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine

4-N-ethyl-6-N-(3-methoxypropyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 112869812) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-N-ethyl-6-N-(3-methoxypropyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-N-(3-methoxypropyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
PubChem CID112869812
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name4-N-ethyl-6-N-(3-methoxypropyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
SMILESCCN(c1cccc(C)c1)c1cc(NCCCOC)nc(C)n1
InChIInChI=1S/C18H26N4O/c1-5-22(16-9-6-8-14(2)12-16)18-13-17(20-15(3)21-18)19-10-7-11-23-4/h6,8-9,12-13H,5,7,10-11H2,1-4H3,(H,19,20,21)
InChIKeyZCGDIPODZKHOCY-UHFFFAOYSA-N
XLogP3.70
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-ethyl-6-N-(2-methoxyethyl)-4-N-(3-methylphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112880369
4-N-ethyl-2-methyl-4-N-(3-methylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873361
6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112855248
6-N-[2-(dimethylamino)ethyl]-4-N-ethyl-2-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112870268
6-(3-methoxypropylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109365060
4-N-ethyl-2-methyl-6-N-(3-methylphenyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112877026
N-[2-(dimethylamino)ethyl]-6-(N-ethyl-3-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 109366329
3-N-ethyl-5-N-[2-(4-methoxyphenoxy)ethyl]-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112958727
1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea
CID 108988156
N,2-diethyl-6-hydrazinyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 80937279
N'-ethyl-N-(3-methoxypropyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62561630
4-N-(3,5-dimethylphenyl)-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine
CID 112869720

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-N-(3-methoxypropyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-6-N-(3-methoxypropyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine (CID 112869812) is 4-N-ethyl-6-N-(3-methoxypropyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-6-N-(3-methoxypropyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-6-N-(3-methoxypropyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine is CCN(c1cccc(C)c1)c1cc(NCCCOC)nc(C)n1.
What is the InChIKey of 4-N-ethyl-6-N-(3-methoxypropyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is ZCGDIPODZKHOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-5-22(16-9-6-8-14(2)12-16)18-13-17(20-15(3)21-18)19-10-7-11-23-4/h6,8-9,12-13H,5,7,10-11H2,1-4H3,(H,19,20,21).
What are the key properties of 4-N-ethyl-6-N-(3-methoxypropyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
4-N-ethyl-6-N-(3-methoxypropyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 314.43 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-N-(3-methoxypropyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112869812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).