4-N-ethyl-6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine

C19H20N4O — CID 22539877

IUPAC4-N-ethyl-6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
SMILESCCN(c1ccccc1)c1ncnc(Oc2ccc(C)cc2)c1N
InChIInChI=1S/C19H20N4O/c1-3-23(15-7-5-4-6-8-15)18-17(20)19(22-13-21-18)24-16-11-9-14(2)10-12-16/h4-13H,3,20H2,1-2H3
InChIKeyFLWPFYXFVZBUED-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.32
Rot. Bonds5

About 4-N-ethyl-6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine

4-N-ethyl-6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine (PubChem CID 22539877) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-N-ethyl-6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
PubChem CID22539877
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-N-ethyl-6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
SMILESCCN(c1ccccc1)c1ncnc(Oc2ccc(C)cc2)c1N
InChIInChI=1S/C19H20N4O/c1-3-23(15-7-5-4-6-8-15)18-17(20)19(22-13-21-18)24-16-11-9-14(2)10-12-16/h4-13H,3,20H2,1-2H3
InChIKeyFLWPFYXFVZBUED-UHFFFAOYSA-N
XLogP4.32
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-6-(4-ethylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539446
4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine
CID 22539701
4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 22539751
2-[[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-ethylamino]ethanol
CID 19141185
6-(4-bromophenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine
CID 19144569
4-N-benzyl-6-(4-ethylphenoxy)-4-N-methylpyrimidine-4,5-diamine
CID 22539683
6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
CID 19147718
6-(4-chloro-3,5-dimethylphenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine
CID 19144528
4-N-(2-ethoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine
CID 19152653
4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,5,6-triamine
CID 22539704
4-(benzimidazol-1-yl)-6-(4-methylphenoxy)pyrimidin-5-amine
CID 19152669
6-N-benzyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539273

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-ethyl-6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine (CID 22539877) is 4-N-ethyl-6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-ethyl-6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-ethyl-6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine is CCN(c1ccccc1)c1ncnc(Oc2ccc(C)cc2)c1N.
What is the InChIKey of 4-N-ethyl-6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine?
The InChIKey is FLWPFYXFVZBUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-3-23(15-7-5-4-6-8-15)18-17(20)19(22-13-21-18)24-16-11-9-14(2)10-12-16/h4-13H,3,20H2,1-2H3.
What are the key properties of 4-N-ethyl-6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine?
4-N-ethyl-6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine has a molecular weight of 320.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine is sourced from PubChem (CID 22539877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).