5-chloro-N-ethyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine

C16H20ClN3O — CID 80874170

IUPAC5-chloro-N-ethyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(Oc2cc(C(C)C)ccc2C)n1
InChIInChI=1S/C16H20ClN3O/c1-5-18-16-19-9-13(17)15(20-16)21-14-8-12(10(2)3)7-6-11(14)4/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyIRWUHRHDXPNPHZ-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.79
Rot. Bonds5

About 5-chloro-N-ethyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine

5-chloro-N-ethyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine (PubChem CID 80874170) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
PubChem CID80874170
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name5-chloro-N-ethyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(Oc2cc(C(C)C)ccc2C)n1
InChIInChI=1S/C16H20ClN3O/c1-5-18-16-19-9-13(17)15(20-16)21-14-8-12(10(2)3)7-6-11(14)4/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyIRWUHRHDXPNPHZ-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80874319
5-chloro-N-ethyl-4-(4-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80863200
5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine
CID 80869054
5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine
CID 80869450
2,3,5-trichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine
CID 102749594
5-chloro-4-(2-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80869484
3,5-dichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridin-2-amine
CID 102760807
4-(2-chlorophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864516
5-chloro-N-ethyl-4-(3-methylbutoxy)pyrimidin-2-amine
CID 80858510
5-chloro-2-N-ethyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-2,4-diamine
CID 80792892
5-chloro-N-propyl-4-(2,4,5-trichlorophenoxy)pyrimidin-2-amine
CID 80866668
5-chloro-N-ethyl-4-quinolin-5-yloxypyrimidin-2-amine
CID 103046129

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine (CID 80874170) is 5-chloro-N-ethyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine is CCNc1ncc(Cl)c(Oc2cc(C(C)C)ccc2C)n1.
What is the InChIKey of 5-chloro-N-ethyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine?
The InChIKey is IRWUHRHDXPNPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-5-18-16-19-9-13(17)15(20-16)21-14-8-12(10(2)3)7-6-11(14)4/h6-10H,5H2,1-4H3,(H,18,19,20).
What are the key properties of 5-chloro-N-ethyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine?
5-chloro-N-ethyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine has a molecular weight of 305.81 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80874170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).