4-N-benzyl-6-(4-ethylphenoxy)-4-N-methylpyrimidine-4,5-diamine

C20H22N4O — CID 22539683

IUPAC4-N-benzyl-6-(4-ethylphenoxy)-4-N-methylpyrimidine-4,5-diamine
SMILESCCc1ccc(Oc2ncnc(N(C)Cc3ccccc3)c2N)cc1
InChIInChI=1S/C20H22N4O/c1-3-15-9-11-17(12-10-15)25-20-18(21)19(22-14-23-20)24(2)13-16-7-5-4-6-8-16/h4-12,14H,3,13,21H2,1-2H3
InChIKeyOJNNCMJVKPXPPD-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.05
Rot. Bonds6

About 4-N-benzyl-6-(4-ethylphenoxy)-4-N-methylpyrimidine-4,5-diamine

4-N-benzyl-6-(4-ethylphenoxy)-4-N-methylpyrimidine-4,5-diamine (PubChem CID 22539683) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-N-benzyl-6-(4-ethylphenoxy)-4-N-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-(4-ethylphenoxy)-4-N-methylpyrimidine-4,5-diamine
PubChem CID22539683
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-N-benzyl-6-(4-ethylphenoxy)-4-N-methylpyrimidine-4,5-diamine
SMILESCCc1ccc(Oc2ncnc(N(C)Cc3ccccc3)c2N)cc1
InChIInChI=1S/C20H22N4O/c1-3-15-9-11-17(12-10-15)25-20-18(21)19(22-14-23-20)24(2)13-16-7-5-4-6-8-16/h4-12,14H,3,13,21H2,1-2H3
InChIKeyOJNNCMJVKPXPPD-UHFFFAOYSA-N
XLogP4.05
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 19154279
4-N-ethyl-6-(4-ethylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539446
6-(4-bromophenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine
CID 19144569
4-N-ethyl-6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
CID 22539877
4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-4,5,6-triamine
CID 22539506
N-benzyl-N-methyl-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine
CID 23477946
4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,5,6-triamine
CID 22539666
4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine
CID 19153248
1-[4-[5-amino-6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]oxyphenyl]ethanone
CID 91634378
4-N-[(4-ethylphenyl)methyl]-4-N-methylpyrimidine-4,5-diamine
CID 79918508
4-N-benzyl-4-N-methyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 22539520
N-benzyl-6-chloro-5-ethyl-N-methylpyrimidin-4-amine
CID 63735417

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-(4-ethylphenoxy)-4-N-methylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-benzyl-6-(4-ethylphenoxy)-4-N-methylpyrimidine-4,5-diamine (CID 22539683) is 4-N-benzyl-6-(4-ethylphenoxy)-4-N-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-benzyl-6-(4-ethylphenoxy)-4-N-methylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-benzyl-6-(4-ethylphenoxy)-4-N-methylpyrimidine-4,5-diamine is CCc1ccc(Oc2ncnc(N(C)Cc3ccccc3)c2N)cc1.
What is the InChIKey of 4-N-benzyl-6-(4-ethylphenoxy)-4-N-methylpyrimidine-4,5-diamine?
The InChIKey is OJNNCMJVKPXPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-3-15-9-11-17(12-10-15)25-20-18(21)19(22-14-23-20)24(2)13-16-7-5-4-6-8-16/h4-12,14H,3,13,21H2,1-2H3.
What are the key properties of 4-N-benzyl-6-(4-ethylphenoxy)-4-N-methylpyrimidine-4,5-diamine?
4-N-benzyl-6-(4-ethylphenoxy)-4-N-methylpyrimidine-4,5-diamine has a molecular weight of 334.42 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-(4-ethylphenoxy)-4-N-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 22539683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).