4-N-(2-ethoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine

C19H20N4O2 — CID 19152653

IUPAC4-N-(2-ethoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine
SMILESCCOc1ccccc1Nc1ncnc(Oc2ccc(C)cc2)c1N
InChIInChI=1S/C19H20N4O2/c1-3-24-16-7-5-4-6-15(16)23-18-17(20)19(22-12-21-18)25-14-10-8-13(2)9-11-14/h4-12H,3,20H2,1-2H3,(H,21,22,23)
InChIKeyPDXMSYWTONUDAI-UHFFFAOYSA-N
MW336.40 g/mol
LogP4.30
Rot. Bonds6

About 4-N-(2-ethoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine

4-N-(2-ethoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine (PubChem CID 19152653) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-N-(2-ethoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine
PubChem CID19152653
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4-N-(2-ethoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine
SMILESCCOc1ccccc1Nc1ncnc(Oc2ccc(C)cc2)c1N
InChIInChI=1S/C19H20N4O2/c1-3-24-16-7-5-4-6-15(16)23-18-17(20)19(22-12-21-18)25-14-10-8-13(2)9-11-14/h4-12H,3,20H2,1-2H3,(H,21,22,23)
InChIKeyPDXMSYWTONUDAI-UHFFFAOYSA-N
XLogP4.30
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]oxybenzoate
CID 22544856
6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
CID 19147718
4-N-(4-ethoxyphenyl)-6-phenoxypyrimidine-4,5-diamine
CID 19149235
6-(4-ethylphenoxy)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
CID 22541998
methyl 4-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]oxybenzoate
CID 22544764
4-N-(5-chloro-2-methoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine
CID 22546079
4-N-(2-ethoxyphenyl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19153756
4-N-(2-ethoxyphenyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545702
6-(3,4-dimethylphenoxy)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine
CID 22544216
5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 114049785
4-N-(2-chloro-3-pyridinyl)-6-(4-ethylphenoxy)pyrimidine-4,5-diamine
CID 19154276
6-(4-bromophenoxy)-4-N-(2-chlorophenyl)pyrimidine-4,5-diamine
CID 19147998

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-ethoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine (CID 19152653) is 4-N-(2-ethoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-ethoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-ethoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine is CCOc1ccccc1Nc1ncnc(Oc2ccc(C)cc2)c1N.
What is the InChIKey of 4-N-(2-ethoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine?
The InChIKey is PDXMSYWTONUDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-24-16-7-5-4-6-15(16)23-18-17(20)19(22-12-21-18)25-14-10-8-13(2)9-11-14/h4-12H,3,20H2,1-2H3,(H,21,22,23).
What are the key properties of 4-N-(2-ethoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine?
4-N-(2-ethoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine has a molecular weight of 336.40 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine is sourced from PubChem (CID 19152653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).