N-butyl-6-(2-chloro-5-methylphenoxy)-N-ethylpyrimidin-4-amine

C17H22ClN3O — CID 83286875

IUPACN-butyl-6-(2-chloro-5-methylphenoxy)-N-ethylpyrimidin-4-amine
SMILESCCCCN(CC)c1cc(Oc2cc(C)ccc2Cl)ncn1
InChIInChI=1S/C17H22ClN3O/c1-4-6-9-21(5-2)16-11-17(20-12-19-16)22-15-10-13(3)7-8-14(15)18/h7-8,10-12H,4-6,9H2,1-3H3
InChIKeyNRQHVMUZTQOXSO-UHFFFAOYSA-N
MW319.84 g/mol
LogP4.86
Rot. Bonds7

About N-butyl-6-(2-chloro-5-methylphenoxy)-N-ethylpyrimidin-4-amine

N-butyl-6-(2-chloro-5-methylphenoxy)-N-ethylpyrimidin-4-amine (PubChem CID 83286875) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is N-butyl-6-(2-chloro-5-methylphenoxy)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-6-(2-chloro-5-methylphenoxy)-N-ethylpyrimidin-4-amine
PubChem CID83286875
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC NameN-butyl-6-(2-chloro-5-methylphenoxy)-N-ethylpyrimidin-4-amine
SMILESCCCCN(CC)c1cc(Oc2cc(C)ccc2Cl)ncn1
InChIInChI=1S/C17H22ClN3O/c1-4-6-9-21(5-2)16-11-17(20-12-19-16)22-15-10-13(3)7-8-14(15)18/h7-8,10-12H,4-6,9H2,1-3H3
InChIKeyNRQHVMUZTQOXSO-UHFFFAOYSA-N
XLogP4.86
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-ethyl-6-(2-methylphenoxy)pyrimidin-4-amine
CID 42872744
4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidine
CID 60706705
N-ethyl-6-(2-methoxy-4-methylphenoxy)-N-methylpyrimidin-4-amine
CID 91633842
N-(2-chloroethyl)-6-ethoxy-N-ethylpyrimidin-4-amine
CID 66334187
1-[(2R)-4-[6-(2-chloro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]hexan-1-one
CID 93296777
4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidin-5-amine
CID 60726041
(2-chloro-5-methylphenoxy)-dodecoxy-dimethylsilane
CID 91744089
[6-(2-chloro-5-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80917240
N-[[5-chloro-2-(2-chloro-5-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928457
4-chloro-6-(2,5-dimethylphenoxy)pyrimidine
CID 60706529
5-bromo-2-(2-chloro-5-methylphenoxy)-4-methylpyridine
CID 114870687
2-(chloromethyl)-6-(2-chloro-5-methylphenoxy)pyridine
CID 62239031

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(2-chloro-5-methylphenoxy)-N-ethylpyrimidin-4-amine?
The IUPAC name of N-butyl-6-(2-chloro-5-methylphenoxy)-N-ethylpyrimidin-4-amine (CID 83286875) is N-butyl-6-(2-chloro-5-methylphenoxy)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for N-butyl-6-(2-chloro-5-methylphenoxy)-N-ethylpyrimidin-4-amine?
The canonical SMILES for N-butyl-6-(2-chloro-5-methylphenoxy)-N-ethylpyrimidin-4-amine is CCCCN(CC)c1cc(Oc2cc(C)ccc2Cl)ncn1.
What is the InChIKey of N-butyl-6-(2-chloro-5-methylphenoxy)-N-ethylpyrimidin-4-amine?
The InChIKey is NRQHVMUZTQOXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-4-6-9-21(5-2)16-11-17(20-12-19-16)22-15-10-13(3)7-8-14(15)18/h7-8,10-12H,4-6,9H2,1-3H3.
What are the key properties of N-butyl-6-(2-chloro-5-methylphenoxy)-N-ethylpyrimidin-4-amine?
N-butyl-6-(2-chloro-5-methylphenoxy)-N-ethylpyrimidin-4-amine has a molecular weight of 319.84 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(2-chloro-5-methylphenoxy)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 83286875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).