6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine

C15H18ClN3O — CID 80949548

IUPAC6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H18ClN3O/c1-3-5-13-18-14(17-4-2)10-15(19-13)20-12-8-6-11(16)7-9-12/h6-10H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyKYHRTKKHEUECBB-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.31
Rot. Bonds6

About 6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine

6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine (PubChem CID 80949548) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine
PubChem CID80949548
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H18ClN3O/c1-3-5-13-18-14(17-4-2)10-15(19-13)20-12-8-6-11(16)7-9-12/h6-10H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyKYHRTKKHEUECBB-UHFFFAOYSA-N
XLogP4.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxybenzonitrile
CID 80944234
6-phenoxy-N,2-dipropylpyrimidin-4-amine
CID 80949625
6-(2-chloro-5-methylphenoxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 80942643
[3-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxyphenyl]methanol
CID 80942920
[6-(4-bromophenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947208
N-ethyl-6-(2-methoxyphenoxy)-2-propylpyrimidin-4-amine
CID 80944699
(6-phenoxy-2-propylpyrimidin-4-yl)hydrazine
CID 80946591
6-(4-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 115493746
6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-propylpyrimidin-4-amine
CID 80950367
6-(4-chlorophenoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80966029
6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80867343
N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80949979

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine (CID 80949548) is 6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine is CCCc1nc(NCC)cc(Oc2ccc(Cl)cc2)n1.
What is the InChIKey of 6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine?
The InChIKey is KYHRTKKHEUECBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-3-5-13-18-14(17-4-2)10-15(19-13)20-12-8-6-11(16)7-9-12/h6-10H,3-5H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine?
6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine has a molecular weight of 291.78 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80949548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).