2-(2-methoxy-4-methylphenoxy)pyrimidin-5-amine

C12H13N3O2 — CID 61146611

IUPAC2-(2-methoxy-4-methylphenoxy)pyrimidin-5-amine
SMILESCOc1cc(C)ccc1Oc1ncc(N)cn1
InChIInChI=1S/C12H13N3O2/c1-8-3-4-10(11(5-8)16-2)17-12-14-6-9(13)7-15-12/h3-7H,13H2,1-2H3
InChIKeySBLSKWHYTLYRGL-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.17
Rot. Bonds3

About 2-(2-methoxy-4-methylphenoxy)pyrimidin-5-amine

2-(2-methoxy-4-methylphenoxy)pyrimidin-5-amine (PubChem CID 61146611) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenoxy)pyrimidin-5-amine
PubChem CID61146611
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-(2-methoxy-4-methylphenoxy)pyrimidin-5-amine
SMILESCOc1cc(C)ccc1Oc1ncc(N)cn1
InChIInChI=1S/C12H13N3O2/c1-8-3-4-10(11(5-8)16-2)17-12-14-6-9(13)7-15-12/h3-7H,13H2,1-2H3
InChIKeySBLSKWHYTLYRGL-UHFFFAOYSA-N
XLogP2.17
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-aminopyrimidin-2-yl)oxy-3-methoxybenzamide
CID 61147721
4-(5-bromopyrimidin-2-yl)oxy-3-methoxyaniline
CID 63871898
4-(2-methoxy-4-methylphenoxy)pyridin-3-amine
CID 28890242
2-(4-tert-butyl-2-methylphenoxy)pyrimidin-5-amine
CID 61146941
3-methoxy-4-(5-methylpyrimidin-2-yl)oxybenzoic acid
CID 55161660
O-(2-methoxy-4-methylphenyl)hydroxylamine
CID 56611281
5-amino-6-(2-methoxy-4-methylphenoxy)pyridine-3-carbonitrile
CID 103469506
2-(3,4-dimethoxyphenyl)pyrimidin-5-amine
CID 43142283
2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine
CID 62133352
5-(2-methoxy-4-methylphenoxy)isoquinolin-8-amine
CID 43448887
1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]ethanamine
CID 83127673
5-chloro-6-(2-chloro-5-methylphenoxy)pyridin-3-amine
CID 114046386

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)pyrimidin-5-amine?
The IUPAC name of 2-(2-methoxy-4-methylphenoxy)pyrimidin-5-amine (CID 61146611) is 2-(2-methoxy-4-methylphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)pyrimidin-5-amine?
The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)pyrimidin-5-amine is COc1cc(C)ccc1Oc1ncc(N)cn1.
What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)pyrimidin-5-amine?
The InChIKey is SBLSKWHYTLYRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-3-4-10(11(5-8)16-2)17-12-14-6-9(13)7-15-12/h3-7H,13H2,1-2H3.
What are the key properties of 2-(2-methoxy-4-methylphenoxy)pyrimidin-5-amine?
2-(2-methoxy-4-methylphenoxy)pyrimidin-5-amine has a molecular weight of 231.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 61146611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).