6-(2-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine

C15H18ClN3O — CID 80863799

IUPAC6-(2-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ccccc2Cl)c1C(C)C
InChIInChI=1S/C15H18ClN3O/c1-4-17-14-13(10(2)3)15(19-9-18-14)20-12-8-6-5-7-11(12)16/h5-10H,4H2,1-3H3,(H,17,18,19)
InChIKeyKVRYVSRHUNAGFG-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.48
Rot. Bonds5

About 6-(2-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine

6-(2-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80863799) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 6-(2-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID80863799
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name6-(2-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ccccc2Cl)c1C(C)C
InChIInChI=1S/C15H18ClN3O/c1-4-17-14-13(10(2)3)15(19-9-18-14)20-12-8-6-5-7-11(12)16/h5-10H,4H2,1-3H3,(H,17,18,19)
InChIKeyKVRYVSRHUNAGFG-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

6-[(2-chlorophenyl)methoxy]-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80844937
N-ethyl-6-(2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80863706
6-(3-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80869449
6-(2,4-difluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80866182
N-ethyl-5-propan-2-yl-6-prop-2-ynoxypyrimidin-4-amine
CID 80861670
6-(4-bromo-2-fluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80875099
[6-(3-chloro-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 116691466
N-ethyl-6-(3-methylbutan-2-yloxy)-5-propan-2-ylpyrimidin-4-amine
CID 80883020
4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80738260
6-(4-chloro-3-methoxyphenyl)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 79699585
N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 107171713
N-ethyl-6-(3-methylbut-3-enoxy)-5-propan-2-ylpyrimidin-4-amine
CID 114471166

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(2-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine (CID 80863799) is 6-(2-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine is CCNc1ncnc(Oc2ccccc2Cl)c1C(C)C.
What is the InChIKey of 6-(2-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is KVRYVSRHUNAGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-4-17-14-13(10(2)3)15(19-9-18-14)20-12-8-6-5-7-11(12)16/h5-10H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(2-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
6-(2-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-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 6-(2-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80863799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).