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

C15H18ClN3O — CID 80863200

IUPAC5-chloro-N-ethyl-4-(4-propan-2-ylphenoxy)pyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(Oc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H18ClN3O/c1-4-17-15-18-9-13(16)14(19-15)20-12-7-5-11(6-8-12)10(2)3/h5-10H,4H2,1-3H3,(H,17,18,19)
InChIKeyPOFKNNZXJKPQFC-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.48
Rot. Bonds5

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

5-chloro-N-ethyl-4-(4-propan-2-ylphenoxy)pyrimidin-2-amine (PubChem CID 80863200) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4-(4-propan-2-ylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-4-(4-propan-2-ylphenoxy)pyrimidin-2-amine
PubChem CID80863200
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name5-chloro-N-ethyl-4-(4-propan-2-ylphenoxy)pyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(Oc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H18ClN3O/c1-4-17-15-18-9-13(16)14(19-15)20-12-7-5-11(6-8-12)10(2)3/h5-10H,4H2,1-3H3,(H,17,18,19)
InChIKeyPOFKNNZXJKPQFC-UHFFFAOYSA-N
XLogP4.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-ethyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80874170
4-(4-butan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 107669596
5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80863154
5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine
CID 80865166
5-chloro-4-(4-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881106
5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine
CID 80869450
5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine
CID 80869054
4-(4-aminophenoxy)-5-chloro-N-propan-2-ylpyrimidin-2-amine
CID 172765369
5-chloro-N-ethyl-4-(1-ethylpyrazol-4-yl)oxypyrimidin-2-amine
CID 116806063
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-ethyl-4-(3-nitrophenoxy)pyrimidin-2-amine
CID 80871947

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-4-(4-propan-2-ylphenoxy)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-4-(4-propan-2-ylphenoxy)pyrimidin-2-amine (CID 80863200) is 5-chloro-N-ethyl-4-(4-propan-2-ylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-4-(4-propan-2-ylphenoxy)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-4-(4-propan-2-ylphenoxy)pyrimidin-2-amine is CCNc1ncc(Cl)c(Oc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 5-chloro-N-ethyl-4-(4-propan-2-ylphenoxy)pyrimidin-2-amine?
The InChIKey is POFKNNZXJKPQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-4-17-15-18-9-13(16)14(19-15)20-12-7-5-11(6-8-12)10(2)3/h5-10H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 5-chloro-N-ethyl-4-(4-propan-2-ylphenoxy)pyrimidin-2-amine?
5-chloro-N-ethyl-4-(4-propan-2-ylphenoxy)pyrimidin-2-amine has a molecular weight of 291.78 g/mol, XLogP of 4.48, 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-(4-propan-2-ylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80863200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).