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

C14H16ClN3O — CID 80864444

IUPAC6-(2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccccc2Cl)nc(C)n1
InChIInChI=1S/C14H16ClN3O/c1-3-8-16-13-9-14(18-10(2)17-13)19-12-7-5-4-6-11(12)15/h4-7,9H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyUYLNNWXENRAFAN-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.05
Rot. Bonds5

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

6-(2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine (PubChem CID 80864444) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 6-(2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
PubChem CID80864444
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name6-(2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccccc2Cl)nc(C)n1
InChIInChI=1S/C14H16ClN3O/c1-3-8-16-13-9-14(18-10(2)17-13)19-12-7-5-4-6-11(12)15/h4-7,9H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyUYLNNWXENRAFAN-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine
CID 80869254
6-(4-bromo-2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881920
6-(2-bromo-4-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881961
6-(2-bromo-4-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80863475
2-methyl-N-propyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine
CID 80874964
2-tert-butyl-6-(2-chlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80965836
6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965500
6-(3-iodophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881036
6-(2,4-dichlorophenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80938694
2-cyclopropyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine
CID 80966037
3-fluoro-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 107669782
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine (CID 80864444) is 6-(2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(Oc2ccccc2Cl)nc(C)n1.
What is the InChIKey of 6-(2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine?
The InChIKey is UYLNNWXENRAFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-8-16-13-9-14(18-10(2)17-13)19-12-7-5-4-6-11(12)15/h4-7,9H,3,8H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine?
6-(2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine has a molecular weight of 277.75 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80864444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).