(5-bromo-2-pyridinyl)-(1-methylcyclopropyl)-pyrimidin-5-ylmethanol

C14H14BrN3O — CID 118463911

IUPAC(5-bromo-2-pyridinyl)-(1-methylcyclopropyl)-pyrimidin-5-ylmethanol
SMILESCC1(C(O)(c2cncnc2)c2ccc(Br)cn2)CC1
InChIInChI=1S/C14H14BrN3O/c1-13(4-5-13)14(19,10-6-16-9-17-7-10)12-3-2-11(15)8-18-12/h2-3,6-9,19H,4-5H2,1H3
InChIKeyUHOITYITSIDHRP-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.67
Rot. Bonds3

About (5-bromo-2-pyridinyl)-(1-methylcyclopropyl)-pyrimidin-5-ylmethanol

(5-bromo-2-pyridinyl)-(1-methylcyclopropyl)-pyrimidin-5-ylmethanol (PubChem CID 118463911) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-(1-methylcyclopropyl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-(1-methylcyclopropyl)-pyrimidin-5-ylmethanol
PubChem CID118463911
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name(5-bromo-2-pyridinyl)-(1-methylcyclopropyl)-pyrimidin-5-ylmethanol
SMILESCC1(C(O)(c2cncnc2)c2ccc(Br)cn2)CC1
InChIInChI=1S/C14H14BrN3O/c1-13(4-5-13)14(19,10-6-16-9-17-7-10)12-3-2-11(15)8-18-12/h2-3,6-9,19H,4-5H2,1H3
InChIKeyUHOITYITSIDHRP-UHFFFAOYSA-N
XLogP2.67
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-pyridinyl)-2,2,2-trifluoroethane-1,1-diol
CID 71418868
5-bromo-2-(1,1-difluoroethyl)pyridine
CID 118395151
5-bromo-2-iodopyridine;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol
CID 159960956
1-(5-bromo-2-pyridinyl)-1-(4-methylcyclohexyl)ethanol
CID 90380506
2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-1-pyrimidin-5-ylpropan-1-ol
CID 118443767
2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane
CID 160502739
1-(5-bromo-2-pyridinyl)-1-phenylethane-1,2-diol
CID 12026658
2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoro-1-pyrimidin-5-ylethanol;5-bromopyrimidine
CID 161155453
2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol
CID 118443761
1-[5-(4-chlorophenyl)-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
CID 118443721
5-bromo-2-[(1-methylcyclopropyl)methoxy]pyridine
CID 97178675
1-(5-bromo-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735445

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-(1-methylcyclopropyl)-pyrimidin-5-ylmethanol?
The IUPAC name of (5-bromo-2-pyridinyl)-(1-methylcyclopropyl)-pyrimidin-5-ylmethanol (CID 118463911) is (5-bromo-2-pyridinyl)-(1-methylcyclopropyl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (5-bromo-2-pyridinyl)-(1-methylcyclopropyl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (5-bromo-2-pyridinyl)-(1-methylcyclopropyl)-pyrimidin-5-ylmethanol is CC1(C(O)(c2cncnc2)c2ccc(Br)cn2)CC1.
What is the InChIKey of (5-bromo-2-pyridinyl)-(1-methylcyclopropyl)-pyrimidin-5-ylmethanol?
The InChIKey is UHOITYITSIDHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-13(4-5-13)14(19,10-6-16-9-17-7-10)12-3-2-11(15)8-18-12/h2-3,6-9,19H,4-5H2,1H3.
What are the key properties of (5-bromo-2-pyridinyl)-(1-methylcyclopropyl)-pyrimidin-5-ylmethanol?
(5-bromo-2-pyridinyl)-(1-methylcyclopropyl)-pyrimidin-5-ylmethanol has a molecular weight of 320.19 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 (5-bromo-2-pyridinyl)-(1-methylcyclopropyl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 118463911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).