4-(2,5-dimethylphenoxy)pyrimidin-2-amine

C12H13N3O — CID 80864136

IUPAC4-(2,5-dimethylphenoxy)pyrimidin-2-amine
SMILESCc1ccc(C)c(Oc2ccnc(N)n2)c1
InChIInChI=1S/C12H13N3O/c1-8-3-4-9(2)10(7-8)16-11-5-6-14-12(13)15-11/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyGMOLSCMDHQJZSA-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.47
Rot. Bonds2

About 4-(2,5-dimethylphenoxy)pyrimidin-2-amine

4-(2,5-dimethylphenoxy)pyrimidin-2-amine (PubChem CID 80864136) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-(2,5-dimethylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethylphenoxy)pyrimidin-2-amine
PubChem CID80864136
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-(2,5-dimethylphenoxy)pyrimidin-2-amine
SMILESCc1ccc(C)c(Oc2ccnc(N)n2)c1
InChIInChI=1S/C12H13N3O/c1-8-3-4-9(2)10(7-8)16-11-5-6-14-12(13)15-11/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyGMOLSCMDHQJZSA-UHFFFAOYSA-N
XLogP2.47
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dimethylphenoxy)-6-fluoropyrimidin-2-amine
CID 695400
4-methyl-3-(2-methylpyrimidin-4-yl)oxyaniline
CID 62770055
5-(2,5-dimethylphenoxy)pyrimidine-2,4-diamine
CID 71212910
4-(5-amino-2-methylphenoxy)-N,N-dimethylpyrimidin-2-amine
CID 64830678
4-(2-aminophenoxy)pyrimidin-2-amine
CID 133059481
2-(2,5-dimethylphenoxy)-6-fluoropyridine
CID 61227420
2-chloro-4-(2-fluoro-5-methylphenoxy)pyrimidine
CID 64854240
2-chloro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine
CID 62338137
6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80966556
4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine
CID 114418383
4-(4-methoxyphenoxy)pyrimidin-2-amine
CID 80869938
6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774078

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenoxy)pyrimidin-2-amine?
The IUPAC name of 4-(2,5-dimethylphenoxy)pyrimidin-2-amine (CID 80864136) is 4-(2,5-dimethylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,5-dimethylphenoxy)pyrimidin-2-amine?
The canonical SMILES for 4-(2,5-dimethylphenoxy)pyrimidin-2-amine is Cc1ccc(C)c(Oc2ccnc(N)n2)c1.
What is the InChIKey of 4-(2,5-dimethylphenoxy)pyrimidin-2-amine?
The InChIKey is GMOLSCMDHQJZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-3-4-9(2)10(7-8)16-11-5-6-14-12(13)15-11/h3-7H,1-2H3,(H2,13,14,15).
What are the key properties of 4-(2,5-dimethylphenoxy)pyrimidin-2-amine?
4-(2,5-dimethylphenoxy)pyrimidin-2-amine has a molecular weight of 215.26 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80864136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).