6-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-4-amine

C16H20ClN3O — CID 80874885

IUPAC6-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Oc2ccc(Cl)c(CC)c2)c1C
InChIInChI=1S/C16H20ClN3O/c1-4-8-18-15-11(3)16(20-10-19-15)21-13-6-7-14(17)12(5-2)9-13/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,20)
InChIKeyKQGZLKUOBIEARX-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.62
Rot. Bonds6

About 6-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-4-amine

6-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-4-amine (PubChem CID 80874885) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-4-amine
PubChem CID80874885
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name6-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Oc2ccc(Cl)c(CC)c2)c1C
InChIInChI=1S/C16H20ClN3O/c1-4-8-18-15-11(3)16(20-10-19-15)21-13-6-7-14(17)12(5-2)9-13/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,20)
InChIKeyKQGZLKUOBIEARX-UHFFFAOYSA-N
XLogP4.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dichlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
CID 80875220
6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80869942
6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80864667
6-(4-chloro-3-methylphenoxy)-4-N-propylpyrimidine-4,5-diamine
CID 19135502
4-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80875373
5-methyl-6-(4-nitrophenoxy)-N-propylpyrimidin-4-amine
CID 80879024
5-methyl-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine
CID 80866037
5-methyl-6-(3-nitrophenoxy)-N-propylpyrimidin-4-amine
CID 80878595
6-(3-chlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
CID 80869356
4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine
CID 60726316
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
6-(2-fluoro-5-methylphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80878423

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-4-amine (CID 80874885) is 6-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-4-amine is CCCNc1ncnc(Oc2ccc(Cl)c(CC)c2)c1C.
What is the InChIKey of 6-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-4-amine?
The InChIKey is KQGZLKUOBIEARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-8-18-15-11(3)16(20-10-19-15)21-13-6-7-14(17)12(5-2)9-13/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-4-amine?
6-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80874885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).