4-(4-methylphenoxy)-N-propylpyrimidin-2-amine

C14H17N3O — CID 80862544

IUPAC4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(Oc2ccc(C)cc2)n1
InChIInChI=1S/C14H17N3O/c1-3-9-15-14-16-10-8-13(17-14)18-12-6-4-11(2)5-7-12/h4-8,10H,3,9H2,1-2H3,(H,15,16,17)
InChIKeyRULDSVWKFLTRFY-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.40
Rot. Bonds5

About 4-(4-methylphenoxy)-N-propylpyrimidin-2-amine

4-(4-methylphenoxy)-N-propylpyrimidin-2-amine (PubChem CID 80862544) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
PubChem CID80862544
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(Oc2ccc(C)cc2)n1
InChIInChI=1S/C14H17N3O/c1-3-9-15-14-16-10-8-13(17-14)18-12-6-4-11(2)5-7-12/h4-8,10H,3,9H2,1-2H3,(H,15,16,17)
InChIKeyRULDSVWKFLTRFY-UHFFFAOYSA-N
XLogP3.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine
CID 80875190
4-(2-bromo-4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80860263
4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881871
4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
CID 116806571
N-propyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine
CID 116806272
2-fluoro-4-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80883299
4-[(4-methoxyphenyl)methoxy]-N-propylpyrimidin-2-amine
CID 80866869
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80863154
N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine
CID 80877277
4-(2,5-dimethylpyrazol-3-yl)oxy-N-propylpyrimidin-2-amine
CID 81346031
2-[2-(propylamino)pyrimidin-4-yl]oxyethanol
CID 80860272

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(4-methylphenoxy)-N-propylpyrimidin-2-amine (CID 80862544) is 4-(4-methylphenoxy)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylphenoxy)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(4-methylphenoxy)-N-propylpyrimidin-2-amine is CCCNc1nccc(Oc2ccc(C)cc2)n1.
What is the InChIKey of 4-(4-methylphenoxy)-N-propylpyrimidin-2-amine?
The InChIKey is RULDSVWKFLTRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-9-15-14-16-10-8-13(17-14)18-12-6-4-11(2)5-7-12/h4-8,10H,3,9H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(4-methylphenoxy)-N-propylpyrimidin-2-amine?
4-(4-methylphenoxy)-N-propylpyrimidin-2-amine has a molecular weight of 243.31 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80862544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).