[2-(5-bromo-2-pyridinyl)-4-cyclopropylpyrimidin-5-yl]methanol

C13H12BrN3O — CID 114205147

IUPAC[2-(5-bromo-2-pyridinyl)-4-cyclopropylpyrimidin-5-yl]methanol
SMILESOCc1cnc(-c2ccc(Br)cn2)nc1C1CC1
InChIInChI=1S/C13H12BrN3O/c14-10-3-4-11(15-6-10)13-16-5-9(7-18)12(17-13)8-1-2-8/h3-6,8,18H,1-2,7H2
InChIKeyQFQZZERDCORRKH-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.67
Rot. Bonds3

About [2-(5-bromo-2-pyridinyl)-4-cyclopropylpyrimidin-5-yl]methanol

[2-(5-bromo-2-pyridinyl)-4-cyclopropylpyrimidin-5-yl]methanol (PubChem CID 114205147) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is [2-(5-bromo-2-pyridinyl)-4-cyclopropylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(5-bromo-2-pyridinyl)-4-cyclopropylpyrimidin-5-yl]methanol
PubChem CID114205147
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name[2-(5-bromo-2-pyridinyl)-4-cyclopropylpyrimidin-5-yl]methanol
SMILESOCc1cnc(-c2ccc(Br)cn2)nc1C1CC1
InChIInChI=1S/C13H12BrN3O/c14-10-3-4-11(15-6-10)13-16-5-9(7-18)12(17-13)8-1-2-8/h3-6,8,18H,1-2,7H2
InChIKeyQFQZZERDCORRKH-UHFFFAOYSA-N
XLogP2.67
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2-pyridinyl)-4-cyclopropylpyrimidin-5-yl]methanol?
The IUPAC name of [2-(5-bromo-2-pyridinyl)-4-cyclopropylpyrimidin-5-yl]methanol (CID 114205147) is [2-(5-bromo-2-pyridinyl)-4-cyclopropylpyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(5-bromo-2-pyridinyl)-4-cyclopropylpyrimidin-5-yl]methanol?
The canonical SMILES for [2-(5-bromo-2-pyridinyl)-4-cyclopropylpyrimidin-5-yl]methanol is OCc1cnc(-c2ccc(Br)cn2)nc1C1CC1.
What is the InChIKey of [2-(5-bromo-2-pyridinyl)-4-cyclopropylpyrimidin-5-yl]methanol?
The InChIKey is QFQZZERDCORRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c14-10-3-4-11(15-6-10)13-16-5-9(7-18)12(17-13)8-1-2-8/h3-6,8,18H,1-2,7H2.
What are the key properties of [2-(5-bromo-2-pyridinyl)-4-cyclopropylpyrimidin-5-yl]methanol?
[2-(5-bromo-2-pyridinyl)-4-cyclopropylpyrimidin-5-yl]methanol has a molecular weight of 306.16 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2-pyridinyl)-4-cyclopropylpyrimidin-5-yl]methanol is sourced from PubChem (CID 114205147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).