(2-benzyl-4-cyclopropylpyrimidin-5-yl)methanol

C15H16N2O — CID 114205144

IUPAC(2-benzyl-4-cyclopropylpyrimidin-5-yl)methanol
SMILESOCc1cnc(Cc2ccccc2)nc1C1CC1
InChIInChI=1S/C15H16N2O/c18-10-13-9-16-14(17-15(13)12-6-7-12)8-11-4-2-1-3-5-11/h1-5,9,12,18H,6-8,10H2
InChIKeyRYBDPTZWLTZGHF-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.44
Rot. Bonds4

About (2-benzyl-4-cyclopropylpyrimidin-5-yl)methanol

(2-benzyl-4-cyclopropylpyrimidin-5-yl)methanol (PubChem CID 114205144) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is (2-benzyl-4-cyclopropylpyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(2-benzyl-4-cyclopropylpyrimidin-5-yl)methanol
PubChem CID114205144
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name(2-benzyl-4-cyclopropylpyrimidin-5-yl)methanol
SMILESOCc1cnc(Cc2ccccc2)nc1C1CC1
InChIInChI=1S/C15H16N2O/c18-10-13-9-16-14(17-15(13)12-6-7-12)8-11-4-2-1-3-5-11/h1-5,9,12,18H,6-8,10H2
InChIKeyRYBDPTZWLTZGHF-UHFFFAOYSA-N
XLogP2.44
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-benzyl-4-cyclopropylpyrimidin-5-yl)methanol?
The IUPAC name of (2-benzyl-4-cyclopropylpyrimidin-5-yl)methanol (CID 114205144) is (2-benzyl-4-cyclopropylpyrimidin-5-yl)methanol.
What is the SMILES notation for (2-benzyl-4-cyclopropylpyrimidin-5-yl)methanol?
The canonical SMILES for (2-benzyl-4-cyclopropylpyrimidin-5-yl)methanol is OCc1cnc(Cc2ccccc2)nc1C1CC1.
What is the InChIKey of (2-benzyl-4-cyclopropylpyrimidin-5-yl)methanol?
The InChIKey is RYBDPTZWLTZGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c18-10-13-9-16-14(17-15(13)12-6-7-12)8-11-4-2-1-3-5-11/h1-5,9,12,18H,6-8,10H2.
What are the key properties of (2-benzyl-4-cyclopropylpyrimidin-5-yl)methanol?
(2-benzyl-4-cyclopropylpyrimidin-5-yl)methanol has a molecular weight of 240.31 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-4-cyclopropylpyrimidin-5-yl)methanol is sourced from PubChem (CID 114205144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).