2,4-dimethyl-3-(pyrimidin-2-ylmethyl)pentan-3-ol

C12H20N2O — CID 162531611

IUPAC2,4-dimethyl-3-(pyrimidin-2-ylmethyl)pentan-3-ol
SMILESCC(C)C(O)(Cc1ncccn1)C(C)C
InChIInChI=1S/C12H20N2O/c1-9(2)12(15,10(3)4)8-11-13-6-5-7-14-11/h5-7,9-10,15H,8H2,1-4H3
InChIKeyDGVLLBWICPKYCA-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.06
Rot. Bonds4

About 2,4-dimethyl-3-(pyrimidin-2-ylmethyl)pentan-3-ol

2,4-dimethyl-3-(pyrimidin-2-ylmethyl)pentan-3-ol (PubChem CID 162531611) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,4-dimethyl-3-(pyrimidin-2-ylmethyl)pentan-3-ol.

Molecular Properties

Compound Name2,4-dimethyl-3-(pyrimidin-2-ylmethyl)pentan-3-ol
PubChem CID162531611
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2,4-dimethyl-3-(pyrimidin-2-ylmethyl)pentan-3-ol
SMILESCC(C)C(O)(Cc1ncccn1)C(C)C
InChIInChI=1S/C12H20N2O/c1-9(2)12(15,10(3)4)8-11-13-6-5-7-14-11/h5-7,9-10,15H,8H2,1-4H3
InChIKeyDGVLLBWICPKYCA-UHFFFAOYSA-N
XLogP2.06
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(pyrimidin-2-ylmethyl)pentan-3-ol?
The IUPAC name of 2,4-dimethyl-3-(pyrimidin-2-ylmethyl)pentan-3-ol (CID 162531611) is 2,4-dimethyl-3-(pyrimidin-2-ylmethyl)pentan-3-ol.
What is the SMILES notation for 2,4-dimethyl-3-(pyrimidin-2-ylmethyl)pentan-3-ol?
The canonical SMILES for 2,4-dimethyl-3-(pyrimidin-2-ylmethyl)pentan-3-ol is CC(C)C(O)(Cc1ncccn1)C(C)C.
What is the InChIKey of 2,4-dimethyl-3-(pyrimidin-2-ylmethyl)pentan-3-ol?
The InChIKey is DGVLLBWICPKYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)12(15,10(3)4)8-11-13-6-5-7-14-11/h5-7,9-10,15H,8H2,1-4H3.
What are the key properties of 2,4-dimethyl-3-(pyrimidin-2-ylmethyl)pentan-3-ol?
2,4-dimethyl-3-(pyrimidin-2-ylmethyl)pentan-3-ol has a molecular weight of 208.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(pyrimidin-2-ylmethyl)pentan-3-ol is sourced from PubChem (CID 162531611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).