[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol

C12H13N3O2 — CID 80871140

IUPAC[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol
SMILESCNc1cc(Oc2ccc(CO)cc2)ncn1
InChIInChI=1S/C12H13N3O2/c1-13-11-6-12(15-8-14-11)17-10-4-2-9(7-16)3-5-10/h2-6,8,16H,7H2,1H3,(H,13,14,15)
InChIKeyAFYUFEIBQXHDLP-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.80
Rot. Bonds4

About [4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol

[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol (PubChem CID 80871140) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is [4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol.

Molecular Properties

Compound Name[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol
PubChem CID80871140
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol
SMILESCNc1cc(Oc2ccc(CO)cc2)ncn1
InChIInChI=1S/C12H13N3O2/c1-13-11-6-12(15-8-14-11)17-10-4-2-9(7-16)3-5-10/h2-6,8,16H,7H2,1H3,(H,13,14,15)
InChIKeyAFYUFEIBQXHDLP-UHFFFAOYSA-N
XLogP1.80
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chlorophenoxy)-N-methylpyrimidin-4-amine
CID 80864046
N-methyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80881018
N-methyl-6-(4-methylsulfonylphenoxy)pyrimidin-4-amine
CID 80875896
[4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]oxyphenyl]methanol
CID 80871561
6-(3-bromo-4-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 83236952
[3-(6-hydrazinylpyrimidin-4-yl)oxyphenyl]methanol
CID 80931261
N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80870346
6-[(4-tert-butylphenyl)methoxy]-N-methylpyrimidin-4-amine
CID 126471056
6-(2-bromo-4-methylphenoxy)-N-methylpyrimidin-4-amine
CID 80860088
[4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80871747
6-(2-bromophenoxy)-N-methylpyrimidin-4-amine
CID 80859646
(2S)-2-[[6-[4-(methylamino)phenoxy]pyrimidin-4-yl]amino]propanal
CID 170194458

Frequently Asked Questions

What is the IUPAC name of [4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol?
The IUPAC name of [4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol (CID 80871140) is [4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol.
What is the SMILES notation for [4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol?
The canonical SMILES for [4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol is CNc1cc(Oc2ccc(CO)cc2)ncn1.
What is the InChIKey of [4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol?
The InChIKey is AFYUFEIBQXHDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-13-11-6-12(15-8-14-11)17-10-4-2-9(7-16)3-5-10/h2-6,8,16H,7H2,1H3,(H,13,14,15).
What are the key properties of [4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol?
[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol has a molecular weight of 231.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol is sourced from PubChem (CID 80871140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).