[2-(3-ethyl-2-pyridinyl)pyrimidin-4-yl]methanol

C12H13N3O — CID 82740620

IUPAC[2-(3-ethyl-2-pyridinyl)pyrimidin-4-yl]methanol
SMILESCCc1cccnc1-c1nccc(CO)n1
InChIInChI=1S/C12H13N3O/c1-2-9-4-3-6-13-11(9)12-14-7-5-10(8-16)15-12/h3-7,16H,2,8H2,1H3
InChIKeyDWVCNXAZOOIBKI-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.59
Rot. Bonds3

About [2-(3-ethyl-2-pyridinyl)pyrimidin-4-yl]methanol

[2-(3-ethyl-2-pyridinyl)pyrimidin-4-yl]methanol (PubChem CID 82740620) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is [2-(3-ethyl-2-pyridinyl)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(3-ethyl-2-pyridinyl)pyrimidin-4-yl]methanol
PubChem CID82740620
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name[2-(3-ethyl-2-pyridinyl)pyrimidin-4-yl]methanol
SMILESCCc1cccnc1-c1nccc(CO)n1
InChIInChI=1S/C12H13N3O/c1-2-9-4-3-6-13-11(9)12-14-7-5-10(8-16)15-12/h3-7,16H,2,8H2,1H3
InChIKeyDWVCNXAZOOIBKI-UHFFFAOYSA-N
XLogP1.59
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3-ethyl-2-pyridinyl)pyrimidin-4-yl]methanol?
The IUPAC name of [2-(3-ethyl-2-pyridinyl)pyrimidin-4-yl]methanol (CID 82740620) is [2-(3-ethyl-2-pyridinyl)pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(3-ethyl-2-pyridinyl)pyrimidin-4-yl]methanol?
The canonical SMILES for [2-(3-ethyl-2-pyridinyl)pyrimidin-4-yl]methanol is CCc1cccnc1-c1nccc(CO)n1.
What is the InChIKey of [2-(3-ethyl-2-pyridinyl)pyrimidin-4-yl]methanol?
The InChIKey is DWVCNXAZOOIBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-9-4-3-6-13-11(9)12-14-7-5-10(8-16)15-12/h3-7,16H,2,8H2,1H3.
What are the key properties of [2-(3-ethyl-2-pyridinyl)pyrimidin-4-yl]methanol?
[2-(3-ethyl-2-pyridinyl)pyrimidin-4-yl]methanol has a molecular weight of 215.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethyl-2-pyridinyl)pyrimidin-4-yl]methanol is sourced from PubChem (CID 82740620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).