6-(2-methoxyphenoxy)-4-N-methylpyrimidine-4,5-diamine

C12H14N4O2 — CID 19135149

IUPAC6-(2-methoxyphenoxy)-4-N-methylpyrimidine-4,5-diamine
SMILESCNc1ncnc(Oc2ccccc2OC)c1N
InChIInChI=1S/C12H14N4O2/c1-14-11-10(13)12(16-7-15-11)18-9-6-4-3-5-8(9)17-2/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKeyCPCLBVHYDZLMFR-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.90
Rot. Bonds4

About 6-(2-methoxyphenoxy)-4-N-methylpyrimidine-4,5-diamine

6-(2-methoxyphenoxy)-4-N-methylpyrimidine-4,5-diamine (PubChem CID 19135149) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-(2-methoxyphenoxy)-4-N-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(2-methoxyphenoxy)-4-N-methylpyrimidine-4,5-diamine
PubChem CID19135149
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name6-(2-methoxyphenoxy)-4-N-methylpyrimidine-4,5-diamine
SMILESCNc1ncnc(Oc2ccccc2OC)c1N
InChIInChI=1S/C12H14N4O2/c1-14-11-10(13)12(16-7-15-11)18-9-6-4-3-5-8(9)17-2/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKeyCPCLBVHYDZLMFR-UHFFFAOYSA-N
XLogP1.90
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-methoxyphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine
CID 22540628
[6-(2-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80916535
4-N-(3-chloro-4-methylphenyl)-6-(2-methoxyphenoxy)pyrimidine-4,5-diamine
CID 22546746
N'-[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151878
4-N-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenoxy)pyrimidine-4,5-diamine
CID 22542231
4-N-methyl-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19135112
4-[[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide
CID 19145392
4-(2-methoxyphenoxy)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
CID 19142034
4-(3-chlorophenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 90488510
4-(4-ethoxyphenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 90488473
methyl 4-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]oxybenzoate
CID 22544764
4-(2-methoxyphenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140409

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenoxy)-4-N-methylpyrimidine-4,5-diamine?
The IUPAC name of 6-(2-methoxyphenoxy)-4-N-methylpyrimidine-4,5-diamine (CID 19135149) is 6-(2-methoxyphenoxy)-4-N-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-(2-methoxyphenoxy)-4-N-methylpyrimidine-4,5-diamine?
The canonical SMILES for 6-(2-methoxyphenoxy)-4-N-methylpyrimidine-4,5-diamine is CNc1ncnc(Oc2ccccc2OC)c1N.
What is the InChIKey of 6-(2-methoxyphenoxy)-4-N-methylpyrimidine-4,5-diamine?
The InChIKey is CPCLBVHYDZLMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-14-11-10(13)12(16-7-15-11)18-9-6-4-3-5-8(9)17-2/h3-7H,13H2,1-2H3,(H,14,15,16).
What are the key properties of 6-(2-methoxyphenoxy)-4-N-methylpyrimidine-4,5-diamine?
6-(2-methoxyphenoxy)-4-N-methylpyrimidine-4,5-diamine has a molecular weight of 246.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenoxy)-4-N-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 19135149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).