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

C16H20ClN3O — CID 80870728

IUPAC6-(5-chloro-2-methylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(Oc2cc(Cl)ccc2C)c1C
InChIInChI=1S/C16H20ClN3O/c1-5-8-18-15-11(3)16(20-12(4)19-15)21-14-9-13(17)7-6-10(14)2/h6-7,9H,5,8H2,1-4H3,(H,18,19,20)
InChIKeyGFGMNRWSXKSSFV-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.67
Rot. Bonds5

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

6-(5-chloro-2-methylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine (PubChem CID 80870728) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-(5-chloro-2-methylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-chloro-2-methylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
PubChem CID80870728
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name6-(5-chloro-2-methylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(Oc2cc(Cl)ccc2C)c1C
InChIInChI=1S/C16H20ClN3O/c1-5-8-18-15-11(3)16(20-12(4)19-15)21-14-9-13(17)7-6-10(14)2/h6-7,9H,5,8H2,1-4H3,(H,18,19,20)
InChIKeyGFGMNRWSXKSSFV-UHFFFAOYSA-N
XLogP4.67
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dimethylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80865514
6-(4-chloro-3-fluorophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 82717795
2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine
CID 80870307
6-(4-iodophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80881869
6-(2,5-dimethylpyrazol-3-yl)oxy-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 81346792
6-(3,5-dichlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80875061
3,5-dichloro-6-(5-fluoro-2-methylphenoxy)-N-propylpyridin-2-amine
CID 102989029
6-(5-chloro-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80990394
6-(2-bromo-4-chlorophenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80881304
6-(3-chloro-4-methylphenyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 115504238
6-(4-bromo-2-chlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80881509
6-(5-bromo-2-methylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 107287427

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(5-chloro-2-methylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine (CID 80870728) is 6-(5-chloro-2-methylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-chloro-2-methylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(5-chloro-2-methylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine is CCCNc1nc(C)nc(Oc2cc(Cl)ccc2C)c1C.
What is the InChIKey of 6-(5-chloro-2-methylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine?
The InChIKey is GFGMNRWSXKSSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-5-8-18-15-11(3)16(20-12(4)19-15)21-14-9-13(17)7-6-10(14)2/h6-7,9H,5,8H2,1-4H3,(H,18,19,20).
What are the key properties of 6-(5-chloro-2-methylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine?
6-(5-chloro-2-methylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 4.67, 5 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)-2,5-dimethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80870728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).