6-(5-chloro-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

C16H20ClN3O — CID 80990394

IUPAC6-(5-chloro-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(Oc2cc(Cl)ccc2C)c1C
InChIInChI=1S/C16H20ClN3O/c1-9(2)14-19-15(18-5)11(4)16(20-14)21-13-8-12(17)7-6-10(13)3/h6-9H,1-5H3,(H,18,19,20)
InChIKeyLOYXZABOIROPCF-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.70
Rot. Bonds4

About 6-(5-chloro-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

6-(5-chloro-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80990394) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-(5-chloro-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-chloro-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80990394
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name6-(5-chloro-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(Oc2cc(Cl)ccc2C)c1C
InChIInChI=1S/C16H20ClN3O/c1-9(2)14-19-15(18-5)11(4)16(20-14)21-13-8-12(17)7-6-10(13)3/h6-9H,1-5H3,(H,18,19,20)
InChIKeyLOYXZABOIROPCF-UHFFFAOYSA-N
XLogP4.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-bromo-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 107287481
6-(2-bromo-4-chlorophenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80881304
[6-(4-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001302
6-(5-bromo-2-methylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 107287427
6-(5-chloro-2-methylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80870728
3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]oxybenzonitrile
CID 80988952
[6-(4-bromo-2-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001299
6-(4-chloro-2,6-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80862724
[6-(5-chloro-2-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81000980
2-(4-chloro-2-methoxyphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 106819693
6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 116805921
6-[(3-bromophenyl)methoxy]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 82807711

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(5-chloro-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (CID 80990394) is 6-(5-chloro-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-chloro-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(5-chloro-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is CNc1nc(C(C)C)nc(Oc2cc(Cl)ccc2C)c1C.
What is the InChIKey of 6-(5-chloro-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is LOYXZABOIROPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-9(2)14-19-15(18-5)11(4)16(20-14)21-13-8-12(17)7-6-10(13)3/h6-9H,1-5H3,(H,18,19,20).
What are the key properties of 6-(5-chloro-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
6-(5-chloro-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80990394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).