(2-tert-butyl-4-methoxypyrimidin-5-yl)methanol

C10H16N2O2 — CID 86715273

IUPAC(2-tert-butyl-4-methoxypyrimidin-5-yl)methanol
SMILESCOc1nc(C(C)(C)C)ncc1CO
InChIInChI=1S/C10H16N2O2/c1-10(2,3)9-11-5-7(6-13)8(12-9)14-4/h5,13H,6H2,1-4H3
InChIKeyKPYKVEMGLNSEDH-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.27
Rot. Bonds2

About (2-tert-butyl-4-methoxypyrimidin-5-yl)methanol

(2-tert-butyl-4-methoxypyrimidin-5-yl)methanol (PubChem CID 86715273) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2-tert-butyl-4-methoxypyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(2-tert-butyl-4-methoxypyrimidin-5-yl)methanol
PubChem CID86715273
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(2-tert-butyl-4-methoxypyrimidin-5-yl)methanol
SMILESCOc1nc(C(C)(C)C)ncc1CO
InChIInChI=1S/C10H16N2O2/c1-10(2,3)9-11-5-7(6-13)8(12-9)14-4/h5,13H,6H2,1-4H3
InChIKeyKPYKVEMGLNSEDH-UHFFFAOYSA-N
XLogP1.27
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-4-methoxypyrimidin-5-yl)methanol?
The IUPAC name of (2-tert-butyl-4-methoxypyrimidin-5-yl)methanol (CID 86715273) is (2-tert-butyl-4-methoxypyrimidin-5-yl)methanol.
What is the SMILES notation for (2-tert-butyl-4-methoxypyrimidin-5-yl)methanol?
The canonical SMILES for (2-tert-butyl-4-methoxypyrimidin-5-yl)methanol is COc1nc(C(C)(C)C)ncc1CO.
What is the InChIKey of (2-tert-butyl-4-methoxypyrimidin-5-yl)methanol?
The InChIKey is KPYKVEMGLNSEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2,3)9-11-5-7(6-13)8(12-9)14-4/h5,13H,6H2,1-4H3.
What are the key properties of (2-tert-butyl-4-methoxypyrimidin-5-yl)methanol?
(2-tert-butyl-4-methoxypyrimidin-5-yl)methanol has a molecular weight of 196.25 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-4-methoxypyrimidin-5-yl)methanol is sourced from PubChem (CID 86715273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).