[4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol

C14H17N3O2 — CID 80870849

IUPAC[4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol
SMILESCNc1nc(C)nc(Oc2ccc(CO)cc2)c1C
InChIInChI=1S/C14H17N3O2/c1-9-13(15-3)16-10(2)17-14(9)19-12-6-4-11(8-18)5-7-12/h4-7,18H,8H2,1-3H3,(H,15,16,17)
InChIKeyMKCMHMWEUJBNDF-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.42
Rot. Bonds4

About [4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol

[4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol (PubChem CID 80870849) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is [4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol.

Molecular Properties

Compound Name[4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol
PubChem CID80870849
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name[4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol
SMILESCNc1nc(C)nc(Oc2ccc(CO)cc2)c1C
InChIInChI=1S/C14H17N3O2/c1-9-13(15-3)16-10(2)17-14(9)19-12-6-4-11(8-18)5-7-12/h4-7,18H,8H2,1-3H3,(H,15,16,17)
InChIKeyMKCMHMWEUJBNDF-UHFFFAOYSA-N
XLogP2.42
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol?
The IUPAC name of [4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol (CID 80870849) is [4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol.
What is the SMILES notation for [4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol?
The canonical SMILES for [4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol is CNc1nc(C)nc(Oc2ccc(CO)cc2)c1C.
What is the InChIKey of [4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol?
The InChIKey is MKCMHMWEUJBNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-13(15-3)16-10(2)17-14(9)19-12-6-4-11(8-18)5-7-12/h4-7,18H,8H2,1-3H3,(H,15,16,17).
What are the key properties of [4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol?
[4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol has a molecular weight of 259.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol is sourced from PubChem (CID 80870849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).