6-[[benzyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine

C26H35N5O3 — CID 164757503

IUPAC6-[[benzyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCOCCOCCOCCN(Cc1ccccc1)Cc1cc(Nc2ccc(C)cc2)nc(N)n1
InChIInChI=1S/C26H35N5O3/c1-21-8-10-23(11-9-21)28-25-18-24(29-26(27)30-25)20-31(19-22-6-4-3-5-7-22)12-13-33-16-17-34-15-14-32-2/h3-11,18H,12-17,19-20H2,1-2H3,(H3,27,28,29,30)
InChIKeyYRZWVJLAIQIPDH-UHFFFAOYSA-N
MW465.60 g/mol
LogP3.79
Rot. Bonds15

About 6-[[benzyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine

6-[[benzyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 164757503) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 6-[[benzyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[[benzyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID164757503
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Name6-[[benzyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCOCCOCCOCCN(Cc1ccccc1)Cc1cc(Nc2ccc(C)cc2)nc(N)n1
InChIInChI=1S/C26H35N5O3/c1-21-8-10-23(11-9-21)28-25-18-24(29-26(27)30-25)20-31(19-22-6-4-3-5-7-22)12-13-33-16-17-34-15-14-32-2/h3-11,18H,12-17,19-20H2,1-2H3,(H3,27,28,29,30)
InChIKeyYRZWVJLAIQIPDH-UHFFFAOYSA-N
XLogP3.79
TPSA94.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 135201977
2-(2-methoxyethoxy)-N,N-bis[2-(2-methoxyethoxy)ethyl]ethanamine;toluene
CID 118437277
4-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]butan-1-ol
CID 122198142
4-N-(3-methoxyphenyl)-6-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrimidine-2,4-diamine
CID 135188115
N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine
CID 57298198
N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 102375752
2-methoxy-N-[(4-methylphenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]ethanamine
CID 46995980
2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 54968853
N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine;hydrochloride
CID 173426677
4-N-(1,3-benzodioxol-5-yl)-6-[[benzyl(methyl)amino]methyl]pyrimidine-2,4-diamine;6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(2-methoxyethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;6-[[(4-fluorophenyl)methyl-methylamino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[(3-methoxy-N-methylanilino)methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine
CID 164986795
6-methyl-4-N-[4-[2-(4-methylphenoxy)ethyl]phenyl]pyrimidine-2,4-diamine
CID 135201952
2-[[2-methoxyethyl-[(4-methylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135750965

Frequently Asked Questions

What is the IUPAC name of 6-[[benzyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-[[benzyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine (CID 164757503) is 6-[[benzyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[[benzyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-[[benzyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine is COCCOCCOCCN(Cc1ccccc1)Cc1cc(Nc2ccc(C)cc2)nc(N)n1.
What is the InChIKey of 6-[[benzyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is YRZWVJLAIQIPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-21-8-10-23(11-9-21)28-25-18-24(29-26(27)30-25)20-31(19-22-6-4-3-5-7-22)12-13-33-16-17-34-15-14-32-2/h3-11,18H,12-17,19-20H2,1-2H3,(H3,27,28,29,30).
What are the key properties of 6-[[benzyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
6-[[benzyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 465.60 g/mol, XLogP of 3.79, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[benzyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 164757503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).