6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine

C14H16ClN3O — CID 80863976

IUPAC6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O/c1-3-4-12-13(16-2)17-9-18-14(12)19-11-7-5-10(15)6-8-11/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyVBNSEZUSHJGCFB-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.92
Rot. Bonds5

About 6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine

6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine (PubChem CID 80863976) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine
PubChem CID80863976
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O/c1-3-4-12-13(16-2)17-9-18-14(12)19-11-7-5-10(15)6-8-11/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyVBNSEZUSHJGCFB-UHFFFAOYSA-N
XLogP3.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-iodophenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80881783
5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880121
6-(4-chlorophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80864217
[6-(4-bromophenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80915894
3-[6-(methylamino)-5-propylpyrimidin-4-yl]oxybenzonitrile
CID 80863215
6-[(4-methoxyphenyl)methoxy]-N-methyl-5-propylpyrimidin-4-amine
CID 80845675
4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine
CID 63734172
6-(4-chlorophenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 2822070
6-(2-bromo-4-methylphenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80860005
2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107710356
6-heptoxy-N-methyl-5-propylpyrimidin-4-amine
CID 80861395
N,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80879453

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine (CID 80863976) is 6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine is CCCc1c(NC)ncnc1Oc1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine?
The InChIKey is VBNSEZUSHJGCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-4-12-13(16-2)17-9-18-14(12)19-11-7-5-10(15)6-8-11/h5-9H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine?
6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine has a molecular weight of 277.75 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80863976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).