4-N-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine

C16H22N4O — CID 80866048

IUPAC4-N-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
SMILESCCNc1cc(Oc2cc(C)ccc2C(C)C)nc(N)n1
InChIInChI=1S/C16H22N4O/c1-5-18-14-9-15(20-16(17)19-14)21-13-8-11(4)6-7-12(13)10(2)3/h6-10H,5H2,1-4H3,(H3,17,18,19,20)
InChIKeyQULJIDIRBFOCFV-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.71
Rot. Bonds5

About 4-N-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine

4-N-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine (PubChem CID 80866048) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-N-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
PubChem CID80866048
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-N-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
SMILESCCNc1cc(Oc2cc(C)ccc2C(C)C)nc(N)n1
InChIInChI=1S/C16H22N4O/c1-5-18-14-9-15(20-16(17)19-14)21-13-8-11(4)6-7-12(13)10(2)3/h6-10H,5H2,1-4H3,(H3,17,18,19,20)
InChIKeyQULJIDIRBFOCFV-UHFFFAOYSA-N
XLogP3.71
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-propan-2-ylphenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80874035
4-N-ethyl-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 103176372
2-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80941059
4-N-ethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 80877500
6-ethoxy-4-N-ethylpyrimidine-2,4-diamine
CID 80858129
6-(5-methyl-2-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80864015
6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80867343
4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80930868
4-hydrazinyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80915422
4-chloro-2-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine
CID 62481702
6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80874134
N-ethyl-5-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine
CID 104536364

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine (CID 80866048) is 4-N-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine is CCNc1cc(Oc2cc(C)ccc2C(C)C)nc(N)n1.
What is the InChIKey of 4-N-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine?
The InChIKey is QULJIDIRBFOCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-5-18-14-9-15(20-16(17)19-14)21-13-8-11(4)6-7-12(13)10(2)3/h6-10H,5H2,1-4H3,(H3,17,18,19,20).
What are the key properties of 4-N-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine?
4-N-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 80866048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).