6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-4-amine

C16H20ClN3O — CID 80874410

IUPAC6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(Oc2cc(C(C)C)c(Cl)cc2C)c1C
InChIInChI=1S/C16H20ClN3O/c1-9(2)12-7-14(10(3)6-13(12)17)21-16-11(4)15(18-5)19-8-20-16/h6-9H,1-5H3,(H,18,19,20)
InChIKeyYHDNFKXDJJBCEE-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.70
Rot. Bonds4

About 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-4-amine

6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-4-amine (PubChem CID 80874410) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-4-amine
PubChem CID80874410
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(Oc2cc(C(C)C)c(Cl)cc2C)c1C
InChIInChI=1S/C16H20ClN3O/c1-9(2)12-7-14(10(3)6-13(12)17)21-16-11(4)15(18-5)19-8-20-16/h6-9H,1-5H3,(H,18,19,20)
InChIKeyYHDNFKXDJJBCEE-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-chloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidine
CID 63736064
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80875963
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrimidin-4-amine
CID 80874108
6-(2,5-dimethyl-4-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80879079
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidin-2-amine
CID 80875257
6-(4-chlorophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80864217
2,4-dichloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1,3,5-triazine
CID 60726056
6-(4-chloro-3-fluorophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 82717800
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridin-4-amine
CID 63457442
2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine
CID 63961923
N,5-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine
CID 80875633
N-methyl-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine
CID 80874958

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-4-amine (CID 80874410) is 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-4-amine is CNc1ncnc(Oc2cc(C(C)C)c(Cl)cc2C)c1C.
What is the InChIKey of 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-4-amine?
The InChIKey is YHDNFKXDJJBCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-9(2)12-7-14(10(3)6-13(12)17)21-16-11(4)15(18-5)19-8-20-16/h6-9H,1-5H3,(H,18,19,20).
What are the key properties of 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-4-amine?
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-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-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80874410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).