4-methyl-6-phenoxy-N-propylpyrimidin-2-amine

C14H17N3O — CID 80869700

IUPAC4-methyl-6-phenoxy-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(Oc2ccccc2)n1
InChIInChI=1S/C14H17N3O/c1-3-9-15-14-16-11(2)10-13(17-14)18-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,15,16,17)
InChIKeyOQWGVTUHTIEAAV-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.40
Rot. Bonds5

About 4-methyl-6-phenoxy-N-propylpyrimidin-2-amine

4-methyl-6-phenoxy-N-propylpyrimidin-2-amine (PubChem CID 80869700) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-methyl-6-phenoxy-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-phenoxy-N-propylpyrimidin-2-amine
PubChem CID80869700
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-methyl-6-phenoxy-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(Oc2ccccc2)n1
InChIInChI=1S/C14H17N3O/c1-3-9-15-14-16-11(2)10-13(17-14)18-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,15,16,17)
InChIKeyOQWGVTUHTIEAAV-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-[6-methyl-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80870528
4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine
CID 80880224
4-(2-ethylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80875948
4-(4-chloro-3-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80865774
4-methyl-6-phenoxy-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
CID 167757226
4-(3-bromo-4-fluorophenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 83238606
4-methyl-6-(1-methylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
CID 116794496
N-ethyl-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine
CID 80864633
4-(2-methoxy-4-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80874328
N-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 80869023
4-methyl-6-octoxy-N-propylpyrimidin-2-amine
CID 80862007
4-(2-methoxyethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80858368

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-phenoxy-N-propylpyrimidin-2-amine?
The IUPAC name of 4-methyl-6-phenoxy-N-propylpyrimidin-2-amine (CID 80869700) is 4-methyl-6-phenoxy-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-phenoxy-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-phenoxy-N-propylpyrimidin-2-amine is CCCNc1nc(C)cc(Oc2ccccc2)n1.
What is the InChIKey of 4-methyl-6-phenoxy-N-propylpyrimidin-2-amine?
The InChIKey is OQWGVTUHTIEAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-9-15-14-16-11(2)10-13(17-14)18-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,15,16,17).
What are the key properties of 4-methyl-6-phenoxy-N-propylpyrimidin-2-amine?
4-methyl-6-phenoxy-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-methyl-6-phenoxy-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80869700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).