4-N-(2-ethoxyphenyl)-6-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine

C22H26N4O3 — CID 112875858

IUPAC4-N-(2-ethoxyphenyl)-6-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCCOc1ccccc1Nc1cc(NCCOc2ccc(OC)cc2)nc(C)n1
InChIInChI=1S/C22H26N4O3/c1-4-28-20-8-6-5-7-19(20)26-22-15-21(24-16(2)25-22)23-13-14-29-18-11-9-17(27-3)10-12-18/h5-12,15H,4,13-14H2,1-3H3,(H2,23,24,25,26)
InChIKeyBDZBQCHIMSLCLO-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.43
Rot. Bonds10

About 4-N-(2-ethoxyphenyl)-6-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine

4-N-(2-ethoxyphenyl)-6-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 112875858) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-N-(2-ethoxyphenyl)-6-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyphenyl)-6-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
PubChem CID112875858
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name4-N-(2-ethoxyphenyl)-6-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCCOc1ccccc1Nc1cc(NCCOc2ccc(OC)cc2)nc(C)n1
InChIInChI=1S/C22H26N4O3/c1-4-28-20-8-6-5-7-19(20)26-22-15-21(24-16(2)25-22)23-13-14-29-18-11-9-17(27-3)10-12-18/h5-12,15H,4,13-14H2,1-3H3,(H2,23,24,25,26)
InChIKeyBDZBQCHIMSLCLO-UHFFFAOYSA-N
XLogP4.43
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-ethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872848
6-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112869510
6-N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112875874
6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112869410
methyl 2-[[6-(2-ethoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878454
4-N-(2,6-difluorophenyl)-6-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878475
6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112867967
6-N-[2-(dimethylamino)ethyl]-4-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112870237
4-N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112875821
6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112863659
6-(difluoromethyl)-N-(2-ethoxyphenyl)-2-methylpyrimidin-4-amine
CID 154882785
4-N-(3-chloro-4-methylphenyl)-6-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112875854

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyphenyl)-6-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-ethoxyphenyl)-6-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine (CID 112875858) is 4-N-(2-ethoxyphenyl)-6-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-ethoxyphenyl)-6-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-ethoxyphenyl)-6-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine is CCOc1ccccc1Nc1cc(NCCOc2ccc(OC)cc2)nc(C)n1.
What is the InChIKey of 4-N-(2-ethoxyphenyl)-6-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is BDZBQCHIMSLCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-4-28-20-8-6-5-7-19(20)26-22-15-21(24-16(2)25-22)23-13-14-29-18-11-9-17(27-3)10-12-18/h5-12,15H,4,13-14H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 4-N-(2-ethoxyphenyl)-6-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine?
4-N-(2-ethoxyphenyl)-6-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 394.48 g/mol, XLogP of 4.43, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyphenyl)-6-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112875858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).