(3-bromo-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C14H14BrN5O — CID 107517750

IUPAC(3-bromo-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ncccc1Br)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H14BrN5O/c15-11-3-1-4-16-12(11)13(21)19-7-9-20(10-8-19)14-17-5-2-6-18-14/h1-6H,7-10H2
InChIKeyBEKIYEGFYWSFRY-UHFFFAOYSA-N
MW348.20 g/mol
LogP1.60
Rot. Bonds2

About (3-bromo-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(3-bromo-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 107517750) has the molecular formula C14H14BrN5O and a molecular weight of 348.20 g/mol. Its IUPAC name is (3-bromo-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID107517750
Molecular FormulaC14H14BrN5O
Molecular Weight348.20 g/mol
Exact Mass347.04
IUPAC Name(3-bromo-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ncccc1Br)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H14BrN5O/c15-11-3-1-4-16-12(11)13(21)19-7-9-20(10-8-19)14-17-5-2-6-18-14/h1-6H,7-10H2
InChIKeyBEKIYEGFYWSFRY-UHFFFAOYSA-N
XLogP1.60
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 66715242
(3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 104740881
2-[4-(3-bromopyridine-2-carbonyl)piperazin-1-yl]propanoic acid
CID 107517070
2-[4-(3-bromopyridine-2-carbonyl)piperazin-1-yl]acetonitrile
CID 107517458
1-(3-bromopyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107517086
(5-bromofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896003
pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855018
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
(4,5-dimethyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110854966
(5-bromo-2-hydroxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17452341
[3-(bromomethyl)piperidin-1-yl]-(3-bromo-2-pyridinyl)methanone
CID 107526191
1-(3-bromopyridine-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid
CID 107517094

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-bromo-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 107517750) is (3-bromo-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-bromo-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-bromo-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1ncccc1Br)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (3-bromo-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is BEKIYEGFYWSFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5O/c15-11-3-1-4-16-12(11)13(21)19-7-9-20(10-8-19)14-17-5-2-6-18-14/h1-6H,7-10H2.
What are the key properties of (3-bromo-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(3-bromo-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 348.20 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 107517750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).