5-(2,5-dimethylphenoxy)pyrimidine-2,4-diamine

C12H14N4O — CID 71212910

IUPAC5-(2,5-dimethylphenoxy)pyrimidine-2,4-diamine
SMILESCc1ccc(C)c(Oc2cnc(N)nc2N)c1
InChIInChI=1S/C12H14N4O/c1-7-3-4-8(2)9(5-7)17-10-6-15-12(14)16-11(10)13/h3-6H,1-2H3,(H4,13,14,15,16)
InChIKeyHOPFIYHBOHAKPX-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.05
Rot. Bonds2

About 5-(2,5-dimethylphenoxy)pyrimidine-2,4-diamine

5-(2,5-dimethylphenoxy)pyrimidine-2,4-diamine (PubChem CID 71212910) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(2,5-dimethylphenoxy)pyrimidine-2,4-diamine
PubChem CID71212910
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name5-(2,5-dimethylphenoxy)pyrimidine-2,4-diamine
SMILESCc1ccc(C)c(Oc2cnc(N)nc2N)c1
InChIInChI=1S/C12H14N4O/c1-7-3-4-8(2)9(5-7)17-10-6-15-12(14)16-11(10)13/h3-6H,1-2H3,(H4,13,14,15,16)
InChIKeyHOPFIYHBOHAKPX-UHFFFAOYSA-N
XLogP2.05
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,5-dimethylphenoxy)pyrimidin-2-amine
CID 80864136
4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol
CID 71206317
5-(5-methyl-3-propan-2-ylnaphthalen-2-yl)oxypyrimidine-2,4-diamine
CID 58826988
5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 130435933
4-(2,5-dimethylphenoxy)-6-fluoropyrimidin-2-amine
CID 695400
5-[(3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine
CID 141170810
ethane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 145370745
N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-4-propan-2-ylphenyl]thiohydroxylamine
CID 158412823
5-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80875224
5-(3,4,5-trimethoxyphenoxy)pyrimidine-2,4-diamine
CID 626130
5-(5-buta-1,3-dienyl-2-iodo-4-methylphenoxy)pyrimidine-2,4-diamine
CID 86611053
4-(2-chloro-4-methylphenoxy)-5-fluoropyrimidin-2-amine
CID 80880887

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenoxy)pyrimidine-2,4-diamine?
The IUPAC name of 5-(2,5-dimethylphenoxy)pyrimidine-2,4-diamine (CID 71212910) is 5-(2,5-dimethylphenoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(2,5-dimethylphenoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(2,5-dimethylphenoxy)pyrimidine-2,4-diamine is Cc1ccc(C)c(Oc2cnc(N)nc2N)c1.
What is the InChIKey of 5-(2,5-dimethylphenoxy)pyrimidine-2,4-diamine?
The InChIKey is HOPFIYHBOHAKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-7-3-4-8(2)9(5-7)17-10-6-15-12(14)16-11(10)13/h3-6H,1-2H3,(H4,13,14,15,16).
What are the key properties of 5-(2,5-dimethylphenoxy)pyrimidine-2,4-diamine?
5-(2,5-dimethylphenoxy)pyrimidine-2,4-diamine has a molecular weight of 230.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 71212910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).