[4-[6-methyl-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol

C15H19N3O2 — CID 80870528

IUPAC[4-[6-methyl-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
SMILESCCCNc1nc(C)cc(Oc2ccc(CO)cc2)n1
InChIInChI=1S/C15H19N3O2/c1-3-8-16-15-17-11(2)9-14(18-15)20-13-6-4-12(10-19)5-7-13/h4-7,9,19H,3,8,10H2,1-2H3,(H,16,17,18)
InChIKeyXAIFHELACXPMBN-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.89
Rot. Bonds6

About [4-[6-methyl-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol

[4-[6-methyl-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol (PubChem CID 80870528) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is [4-[6-methyl-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol.

Molecular Properties

Compound Name[4-[6-methyl-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
PubChem CID80870528
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name[4-[6-methyl-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
SMILESCCCNc1nc(C)cc(Oc2ccc(CO)cc2)n1
InChIInChI=1S/C15H19N3O2/c1-3-8-16-15-17-11(2)9-14(18-15)20-13-6-4-12(10-19)5-7-13/h4-7,9,19H,3,8,10H2,1-2H3,(H,16,17,18)
InChIKeyXAIFHELACXPMBN-UHFFFAOYSA-N
XLogP2.89
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-phenoxy-N-propylpyrimidin-2-amine
CID 80869700
[4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80871747
4-(4-chloro-3-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80865774
4-(3-bromo-4-fluorophenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 83238606
4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine
CID 80880224
[4-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80879432
4-methyl-6-(1-methylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
CID 116794496
2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxyphenyl]acetonitrile
CID 80864396
4-(2-ethylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80875948
4-(2-methoxy-4-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80874328
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-[6-methyl-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol?
The IUPAC name of [4-[6-methyl-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol (CID 80870528) is [4-[6-methyl-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol.
What is the SMILES notation for [4-[6-methyl-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol?
The canonical SMILES for [4-[6-methyl-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol is CCCNc1nc(C)cc(Oc2ccc(CO)cc2)n1.
What is the InChIKey of [4-[6-methyl-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol?
The InChIKey is XAIFHELACXPMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-8-16-15-17-11(2)9-14(18-15)20-13-6-4-12(10-19)5-7-13/h4-7,9,19H,3,8,10H2,1-2H3,(H,16,17,18).
What are the key properties of [4-[6-methyl-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol?
[4-[6-methyl-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol has a molecular weight of 273.34 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-methyl-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol is sourced from PubChem (CID 80870528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).