6-(2-methoxyphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine

C15H15N5O3 — CID 22540628

IUPAC6-(2-methoxyphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine
SMILESCOc1ccccc1Oc1ncnc(Nc2cc(C)on2)c1N
InChIInChI=1S/C15H15N5O3/c1-9-7-12(20-23-9)19-14-13(16)15(18-8-17-14)22-11-6-4-3-5-10(11)21-2/h3-8H,16H2,1-2H3,(H,17,18,19,20)
InChIKeyGECMDHVQIYPDNG-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.90
Rot. Bonds5

About 6-(2-methoxyphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine

6-(2-methoxyphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine (PubChem CID 22540628) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 6-(2-methoxyphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(2-methoxyphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine
PubChem CID22540628
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name6-(2-methoxyphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine
SMILESCOc1ccccc1Oc1ncnc(Nc2cc(C)on2)c1N
InChIInChI=1S/C15H15N5O3/c1-9-7-12(20-23-9)19-14-13(16)15(18-8-17-14)22-11-6-4-3-5-10(11)21-2/h3-8H,16H2,1-2H3,(H,17,18,19,20)
InChIKeyGECMDHVQIYPDNG-UHFFFAOYSA-N
XLogP2.90
TPSA108.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-(4-ethylphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine
CID 22540621
6-(2-methoxyphenoxy)-4-N-methylpyrimidine-4,5-diamine
CID 19135149
4-N-(3-chloro-4-methylphenyl)-6-(2-methoxyphenoxy)pyrimidine-4,5-diamine
CID 22546746
4-N-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenoxy)pyrimidine-4,5-diamine
CID 22542231
6-N-(4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540535
6-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540408
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22540502
6-(4-methoxyphenoxy)-4-N-pyridin-2-ylpyrimidine-4,5-diamine
CID 19147057
4-N,4-N-dimethyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540452
[6-(2-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80916535
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 22540440
4-N-benzyl-4-N-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22539468

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(2-methoxyphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine (CID 22540628) is 6-(2-methoxyphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(2-methoxyphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(2-methoxyphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine is COc1ccccc1Oc1ncnc(Nc2cc(C)on2)c1N.
What is the InChIKey of 6-(2-methoxyphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine?
The InChIKey is GECMDHVQIYPDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-9-7-12(20-23-9)19-14-13(16)15(18-8-17-14)22-11-6-4-3-5-10(11)21-2/h3-8H,16H2,1-2H3,(H,17,18,19,20).
What are the key properties of 6-(2-methoxyphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine?
6-(2-methoxyphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine has a molecular weight of 313.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22540628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).