6-(3,4-dimethylphenoxy)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine

C20H22N4O — CID 22544216

IUPAC6-(3,4-dimethylphenoxy)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine
SMILESCCc1ccccc1Nc1ncnc(Oc2ccc(C)c(C)c2)c1N
InChIInChI=1S/C20H22N4O/c1-4-15-7-5-6-8-17(15)24-19-18(21)20(23-12-22-19)25-16-10-9-13(2)14(3)11-16/h5-12H,4,21H2,1-3H3,(H,22,23,24)
InChIKeyPBVCBIBXUDPSFJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.77
Rot. Bonds5

About 6-(3,4-dimethylphenoxy)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine

6-(3,4-dimethylphenoxy)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine (PubChem CID 22544216) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 6-(3,4-dimethylphenoxy)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(3,4-dimethylphenoxy)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine
PubChem CID22544216
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name6-(3,4-dimethylphenoxy)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine
SMILESCCc1ccccc1Nc1ncnc(Oc2ccc(C)c(C)c2)c1N
InChIInChI=1S/C20H22N4O/c1-4-15-7-5-6-8-17(15)24-19-18(21)20(23-12-22-19)25-16-10-9-13(2)14(3)11-16/h5-12H,4,21H2,1-3H3,(H,22,23,24)
InChIKeyPBVCBIBXUDPSFJ-UHFFFAOYSA-N
XLogP4.77
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chloro-3,5-dimethylphenoxy)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine
CID 22544181
4-N-(5-chloro-2-methylphenyl)-6-(3,4-dimethylphenoxy)pyrimidine-4,5-diamine
CID 22547350
6-(3,4-dimethylphenoxy)-4-N-(4-iodophenyl)pyrimidine-4,5-diamine
CID 19148973
4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544045
6-N-(3-chloro-4-methylphenyl)-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544026
1-[3-[[5-amino-6-(3,4-dimethylphenoxy)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547551
4-N-(2-ethoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine
CID 19152653
4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 22544115
4-N-(5-chloro-2-methylphenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543594
6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine
CID 22547316
6-N-butyl-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544033
4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
CID 22546336

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenoxy)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(3,4-dimethylphenoxy)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine (CID 22544216) is 6-(3,4-dimethylphenoxy)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(3,4-dimethylphenoxy)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(3,4-dimethylphenoxy)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine is CCc1ccccc1Nc1ncnc(Oc2ccc(C)c(C)c2)c1N.
What is the InChIKey of 6-(3,4-dimethylphenoxy)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine?
The InChIKey is PBVCBIBXUDPSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-4-15-7-5-6-8-17(15)24-19-18(21)20(23-12-22-19)25-16-10-9-13(2)14(3)11-16/h5-12H,4,21H2,1-3H3,(H,22,23,24).
What are the key properties of 6-(3,4-dimethylphenoxy)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine?
6-(3,4-dimethylphenoxy)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine has a molecular weight of 334.42 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenoxy)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22544216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).