6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine

C21H25N5O — CID 135201977

IUPAC6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCCN(Cc1ccccc1)Cc1cc(Nc2cccc(OC)c2)nc(N)n1
InChIInChI=1S/C21H25N5O/c1-3-26(14-16-8-5-4-6-9-16)15-18-13-20(25-21(22)24-18)23-17-10-7-11-19(12-17)27-2/h4-13H,3,14-15H2,1-2H3,(H3,22,23,24,25)
InChIKeyQDUSMFDIQKIFOV-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.83
Rot. Bonds8

About 6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine

6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 135201977) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID135201977
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCCN(Cc1ccccc1)Cc1cc(Nc2cccc(OC)c2)nc(N)n1
InChIInChI=1S/C21H25N5O/c1-3-26(14-16-8-5-4-6-9-16)15-18-13-20(25-21(22)24-18)23-17-10-7-11-19(12-17)27-2/h4-13H,3,14-15H2,1-2H3,(H3,22,23,24,25)
InChIKeyQDUSMFDIQKIFOV-UHFFFAOYSA-N
XLogP3.83
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3-methoxyphenyl)-6-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrimidine-2,4-diamine
CID 135188115
N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 70971804
6-[[benzyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 164757503
4-N-benzyl-6-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112872251
4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine
CID 135201379
4-N-benzyl-6-N-(3-methoxyphenyl)-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112876099
3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline
CID 43459109
N-benzyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 783617
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-hydrazinyl-N-(3-methoxyphenyl)-2-propylpyrimidin-4-amine
CID 80947184
6-[[benzyl(methyl)amino]methyl]-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;bis(6-[[benzyl(methyl)amino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine);6-[[benzyl(methyl)amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-[(N-methylanilino)methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 161041251
6-[(4-benzylpiperazin-1-yl)methyl]-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3162730

Frequently Asked Questions

What is the IUPAC name of 6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine (CID 135201977) is 6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine is CCN(Cc1ccccc1)Cc1cc(Nc2cccc(OC)c2)nc(N)n1.
What is the InChIKey of 6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is QDUSMFDIQKIFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-3-26(14-16-8-5-4-6-9-16)15-18-13-20(25-21(22)24-18)23-17-10-7-11-19(12-17)27-2/h4-13H,3,14-15H2,1-2H3,(H3,22,23,24,25).
What are the key properties of 6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine?
6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 363.47 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 135201977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).