pyrimidin-4-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanol

C14H15N3O — CID 65041776

IUPACpyrimidin-4-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanol
SMILESOC(c1ccncn1)C1CCc2ccccc2N1
InChIInChI=1S/C14H15N3O/c18-14(12-7-8-15-9-16-12)13-6-5-10-3-1-2-4-11(10)17-13/h1-4,7-9,13-14,17-18H,5-6H2
InChIKeyPNOJWXOEIJPUPP-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.94
Rot. Bonds2

About pyrimidin-4-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanol

pyrimidin-4-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanol (PubChem CID 65041776) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is pyrimidin-4-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanol.

Molecular Properties

Compound Namepyrimidin-4-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanol
PubChem CID65041776
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Namepyrimidin-4-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanol
SMILESOC(c1ccncn1)C1CCc2ccccc2N1
InChIInChI=1S/C14H15N3O/c18-14(12-7-8-15-9-16-12)13-6-5-10-3-1-2-4-11(10)17-13/h1-4,7-9,13-14,17-18H,5-6H2
InChIKeyPNOJWXOEIJPUPP-UHFFFAOYSA-N
XLogP1.94
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrimidin-4-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanol?
The IUPAC name of pyrimidin-4-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanol (CID 65041776) is pyrimidin-4-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanol.
What is the SMILES notation for pyrimidin-4-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanol?
The canonical SMILES for pyrimidin-4-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanol is OC(c1ccncn1)C1CCc2ccccc2N1.
What is the InChIKey of pyrimidin-4-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanol?
The InChIKey is PNOJWXOEIJPUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-14(12-7-8-15-9-16-12)13-6-5-10-3-1-2-4-11(10)17-13/h1-4,7-9,13-14,17-18H,5-6H2.
What are the key properties of pyrimidin-4-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanol?
pyrimidin-4-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanol has a molecular weight of 241.29 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-4-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanol is sourced from PubChem (CID 65041776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).