N-butyl-6-(4-chlorophenoxy)-N-ethylpyrimidin-4-amine

C16H20ClN3O — CID 83281618

IUPACN-butyl-6-(4-chlorophenoxy)-N-ethylpyrimidin-4-amine
SMILESCCCCN(CC)c1cc(Oc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C16H20ClN3O/c1-3-5-10-20(4-2)15-11-16(19-12-18-15)21-14-8-6-13(17)7-9-14/h6-9,11-12H,3-5,10H2,1-2H3
InChIKeyZUHIJZXZQQAVSY-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.55
Rot. Bonds7

About N-butyl-6-(4-chlorophenoxy)-N-ethylpyrimidin-4-amine

N-butyl-6-(4-chlorophenoxy)-N-ethylpyrimidin-4-amine (PubChem CID 83281618) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-butyl-6-(4-chlorophenoxy)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-6-(4-chlorophenoxy)-N-ethylpyrimidin-4-amine
PubChem CID83281618
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-butyl-6-(4-chlorophenoxy)-N-ethylpyrimidin-4-amine
SMILESCCCCN(CC)c1cc(Oc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C16H20ClN3O/c1-3-5-10-20(4-2)15-11-16(19-12-18-15)21-14-8-6-13(17)7-9-14/h6-9,11-12H,3-5,10H2,1-2H3
InChIKeyZUHIJZXZQQAVSY-UHFFFAOYSA-N
XLogP4.55
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(4-chlorophenoxy)-N-ethylpyrimidin-4-amine?
The IUPAC name of N-butyl-6-(4-chlorophenoxy)-N-ethylpyrimidin-4-amine (CID 83281618) is N-butyl-6-(4-chlorophenoxy)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for N-butyl-6-(4-chlorophenoxy)-N-ethylpyrimidin-4-amine?
The canonical SMILES for N-butyl-6-(4-chlorophenoxy)-N-ethylpyrimidin-4-amine is CCCCN(CC)c1cc(Oc2ccc(Cl)cc2)ncn1.
What is the InChIKey of N-butyl-6-(4-chlorophenoxy)-N-ethylpyrimidin-4-amine?
The InChIKey is ZUHIJZXZQQAVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-3-5-10-20(4-2)15-11-16(19-12-18-15)21-14-8-6-13(17)7-9-14/h6-9,11-12H,3-5,10H2,1-2H3.
What are the key properties of N-butyl-6-(4-chlorophenoxy)-N-ethylpyrimidin-4-amine?
N-butyl-6-(4-chlorophenoxy)-N-ethylpyrimidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(4-chlorophenoxy)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 83281618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).