4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-2-amine

C16H20ClN3O — CID 80875963

IUPAC4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-2-amine
SMILESCNc1ncc(C)c(Oc2cc(C(C)C)c(Cl)cc2C)n1
InChIInChI=1S/C16H20ClN3O/c1-9(2)12-7-14(10(3)6-13(12)17)21-15-11(4)8-19-16(18-5)20-15/h6-9H,1-5H3,(H,18,19,20)
InChIKeyVRBBTJXQRMLBSC-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.70
Rot. Bonds4

About 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-2-amine

4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-2-amine (PubChem CID 80875963) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-2-amine
PubChem CID80875963
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-2-amine
SMILESCNc1ncc(C)c(Oc2cc(C(C)C)c(Cl)cc2C)n1
InChIInChI=1S/C16H20ClN3O/c1-9(2)12-7-14(10(3)6-13(12)17)21-15-11(4)8-19-16(18-5)20-15/h6-9H,1-5H3,(H,18,19,20)
InChIKeyVRBBTJXQRMLBSC-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

4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidin-2-amine
CID 80875257
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80874410
5-chloro-N-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80874319
4-(5-bromo-2-chlorophenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80878835
4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 115403079
2,4-dichloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1,3,5-triazine
CID 60726056
4-(4-tert-butyl-2-methylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80875939
4-chloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidine
CID 63736064
N,5-dimethyl-4-propan-2-yloxypyrimidin-2-amine
CID 80859947
N,5-dimethyl-4-(3-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80864328
5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine
CID 149414681
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbaldehyde
CID 80631862

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-2-amine (CID 80875963) is 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-2-amine is CNc1ncc(C)c(Oc2cc(C(C)C)c(Cl)cc2C)n1.
What is the InChIKey of 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-2-amine?
The InChIKey is VRBBTJXQRMLBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-9(2)12-7-14(10(3)6-13(12)17)21-15-11(4)8-19-16(18-5)20-15/h6-9H,1-5H3,(H,18,19,20).
What are the key properties of 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-2-amine?
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-2-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 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80875963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).