(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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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).