6-(4-ethylphenoxy)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine

C20H22N4O2 — CID 22541998

IUPAC6-(4-ethylphenoxy)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
SMILESCCc1ccc(Oc2ncnc(Nc3cc(C)ccc3OC)c2N)cc1
InChIInChI=1S/C20H22N4O2/c1-4-14-6-8-15(9-7-14)26-20-18(21)19(22-12-23-20)24-16-11-13(2)5-10-17(16)25-3/h5-12H,4,21H2,1-3H3,(H,22,23,24)
InChIKeyFHUZMZYJLNLGID-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.47
Rot. Bonds6

About 6-(4-ethylphenoxy)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine

6-(4-ethylphenoxy)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine (PubChem CID 22541998) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-(4-ethylphenoxy)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-ethylphenoxy)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
PubChem CID22541998
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name6-(4-ethylphenoxy)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
SMILESCCc1ccc(Oc2ncnc(Nc3cc(C)ccc3OC)c2N)cc1
InChIInChI=1S/C20H22N4O2/c1-4-14-6-8-15(9-7-14)26-20-18(21)19(22-12-23-20)24-16-11-13(2)5-10-17(16)25-3/h5-12H,4,21H2,1-3H3,(H,22,23,24)
InChIKeyFHUZMZYJLNLGID-UHFFFAOYSA-N
XLogP4.47
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(5-chloro-2-methoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine
CID 22546079
6-(4-ethylphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine
CID 22540621
4-(4-ethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 19154279
4-N-(2-chloro-3-pyridinyl)-6-(4-ethylphenoxy)pyrimidine-4,5-diamine
CID 19154276
4-N-(2-ethoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine
CID 19152653
6-(4-bromophenoxy)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
CID 19142963
methyl 4-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]oxybenzoate
CID 22544764
6-(4-methoxyphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148333
6-(3,5-dimethylphenoxy)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine
CID 22540722
6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541866
6-N-(2-methoxy-5-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 22541991
6-(3,4-dimethylphenoxy)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine
CID 22544216

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenoxy)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(4-ethylphenoxy)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine (CID 22541998) is 6-(4-ethylphenoxy)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-ethylphenoxy)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-ethylphenoxy)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine is CCc1ccc(Oc2ncnc(Nc3cc(C)ccc3OC)c2N)cc1.
What is the InChIKey of 6-(4-ethylphenoxy)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine?
The InChIKey is FHUZMZYJLNLGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-4-14-6-8-15(9-7-14)26-20-18(21)19(22-12-23-20)24-16-11-13(2)5-10-17(16)25-3/h5-12H,4,21H2,1-3H3,(H,22,23,24).
What are the key properties of 6-(4-ethylphenoxy)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine?
6-(4-ethylphenoxy)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine has a molecular weight of 350.42 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenoxy)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22541998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).