5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine

C16H22N4O2 — CID 149414681

IUPAC5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Oc2cc(C)c(OC)cc2C(C)C)c(N)n1
InChIInChI=1S/C16H22N4O2/c1-9(2)11-7-12(21-5)10(3)6-13(11)22-14-8-19-16(18-4)20-15(14)17/h6-9H,1-5H3,(H3,17,18,19,20)
InChIKeyYRYDMHDWMIDLFK-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.33
Rot. Bonds5

About 5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine

5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 149414681) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine
PubChem CID149414681
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Oc2cc(C)c(OC)cc2C(C)C)c(N)n1
InChIInChI=1S/C16H22N4O2/c1-9(2)11-7-12(21-5)10(3)6-13(11)22-14-8-19-16(18-4)20-15(14)17/h6-9H,1-5H3,(H3,17,18,19,20)
InChIKeyYRYDMHDWMIDLFK-UHFFFAOYSA-N
XLogP3.33
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methoxy-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine
CID 145284551
1-[[4-amino-5-(4,5-dimethoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]ethanol
CID 139460650
2-N-benzyl-5-(4,5-dimethoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 59598713
5-(5-chloro-4-methoxy-2-propan-2-ylphenoxy)-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 137412810
5-[4-methoxy-5-(1-methoxyethyl)-2-propan-2-ylphenoxy]-2-methylpyrimidin-4-amine
CID 147984735
N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-methoxyacetamide
CID 58826050
N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]thiohydroxylamine
CID 59598712
2-[[4-amino-5-(5-chloro-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]butan-2-ol
CID 134519156
amino-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]methanol
CID 163788911
methyl 4-[[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]-4-oxobutanoate
CID 68510970
5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-N-methyl-4-propan-2-ylbenzamide
CID 57329522
4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol
CID 71206317

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine (CID 149414681) is 5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(Oc2cc(C)c(OC)cc2C(C)C)c(N)n1.
What is the InChIKey of 5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is YRYDMHDWMIDLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-9(2)11-7-12(21-5)10(3)6-13(11)22-14-8-19-16(18-4)20-15(14)17/h6-9H,1-5H3,(H3,17,18,19,20).
What are the key properties of 5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine?
5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 302.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 149414681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).