[1-(4-tert-butylpyrimidin-2-yl)cyclopropyl]methanol

C12H18N2O — CID 116902465

IUPAC[1-(4-tert-butylpyrimidin-2-yl)cyclopropyl]methanol
SMILESCC(C)(C)c1ccnc(C2(CO)CC2)n1
InChIInChI=1S/C12H18N2O/c1-11(2,3)9-4-7-13-10(14-9)12(8-15)5-6-12/h4,7,15H,5-6,8H2,1-3H3
InChIKeyCJLAQSFMDCFWGD-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.80
Rot. Bonds2

About [1-(4-tert-butylpyrimidin-2-yl)cyclopropyl]methanol

[1-(4-tert-butylpyrimidin-2-yl)cyclopropyl]methanol (PubChem CID 116902465) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [1-(4-tert-butylpyrimidin-2-yl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(4-tert-butylpyrimidin-2-yl)cyclopropyl]methanol
PubChem CID116902465
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[1-(4-tert-butylpyrimidin-2-yl)cyclopropyl]methanol
SMILESCC(C)(C)c1ccnc(C2(CO)CC2)n1
InChIInChI=1S/C12H18N2O/c1-11(2,3)9-4-7-13-10(14-9)12(8-15)5-6-12/h4,7,15H,5-6,8H2,1-3H3
InChIKeyCJLAQSFMDCFWGD-UHFFFAOYSA-N
XLogP1.80
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylpyrimidin-2-yl)cyclopropyl]methanol?
The IUPAC name of [1-(4-tert-butylpyrimidin-2-yl)cyclopropyl]methanol (CID 116902465) is [1-(4-tert-butylpyrimidin-2-yl)cyclopropyl]methanol.
What is the SMILES notation for [1-(4-tert-butylpyrimidin-2-yl)cyclopropyl]methanol?
The canonical SMILES for [1-(4-tert-butylpyrimidin-2-yl)cyclopropyl]methanol is CC(C)(C)c1ccnc(C2(CO)CC2)n1.
What is the InChIKey of [1-(4-tert-butylpyrimidin-2-yl)cyclopropyl]methanol?
The InChIKey is CJLAQSFMDCFWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-11(2,3)9-4-7-13-10(14-9)12(8-15)5-6-12/h4,7,15H,5-6,8H2,1-3H3.
What are the key properties of [1-(4-tert-butylpyrimidin-2-yl)cyclopropyl]methanol?
[1-(4-tert-butylpyrimidin-2-yl)cyclopropyl]methanol has a molecular weight of 206.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylpyrimidin-2-yl)cyclopropyl]methanol is sourced from PubChem (CID 116902465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).