(5-bromopyrimidin-4-yl)-[3-(dimethylamino)piperidin-1-yl]methanone

C12H17BrN4O — CID 102563881

IUPAC(5-bromopyrimidin-4-yl)-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCCN(C(=O)c2ncncc2Br)C1
InChIInChI=1S/C12H17BrN4O/c1-16(2)9-4-3-5-17(7-9)12(18)11-10(13)6-14-8-15-11/h6,8-9H,3-5,7H2,1-2H3
InChIKeyUYDYDWZEGHZCAE-UHFFFAOYSA-N
MW313.20 g/mol
LogP1.41
Rot. Bonds2

About (5-bromopyrimidin-4-yl)-[3-(dimethylamino)piperidin-1-yl]methanone

(5-bromopyrimidin-4-yl)-[3-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 102563881) has the molecular formula C12H17BrN4O and a molecular weight of 313.20 g/mol. Its IUPAC name is (5-bromopyrimidin-4-yl)-[3-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromopyrimidin-4-yl)-[3-(dimethylamino)piperidin-1-yl]methanone
PubChem CID102563881
Molecular FormulaC12H17BrN4O
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC Name(5-bromopyrimidin-4-yl)-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCCN(C(=O)c2ncncc2Br)C1
InChIInChI=1S/C12H17BrN4O/c1-16(2)9-4-3-5-17(7-9)12(18)11-10(13)6-14-8-15-11/h6,8-9H,3-5,7H2,1-2H3
InChIKeyUYDYDWZEGHZCAE-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-bromopyrimidin-4-yl)-[3-(dimethylamino)piperidin-1-yl]methanone with MolForge

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Related Compounds

(2S)-2-({5-bromo-2-[(propan-2-yl)amino]pyrimidin-4-yl}formamido)-N-methylpropanamide
CID 136589020
[(2S)-2,4-dimethylpiperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 97074666
1-[4-(5-Bromopyrimidine-4-carbonyl)piperazin-1-yl]-2-methoxyethanone
CID 99801807
5-bromo-N-[(2S)-2-cyanopropyl]-N-ethylpyrimidine-4-carboxamide
CID 100742793
[5-bromo-2-(propan-2-ylamino)pyrimidin-4-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone
CID 138017161
5-bromo-2-cyclopropyl-N-[(3S)-1-ethylpyrrolidin-3-yl]pyrimidine-4-carboxamide
CID 164643278
(5-Bromopyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone
CID 142620773
(5-Bromo-2-methylpyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone
CID 142620948
1-[4-[5-Bromo-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 142746828
4-[4-(2,5-Dihydropyrrole-1-carbonyl)-5-fluoropyrimidin-2-yl]piperazine-1-carbaldehyde
CID 168862197
5-Fluoro-2-(4-fluoropiperidin-1-yl)pyrimidine-4-carboxamide
CID 169090066
5-Fluoro-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 169090085

Frequently Asked Questions

What is the IUPAC name of (5-bromopyrimidin-4-yl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of (5-bromopyrimidin-4-yl)-[3-(dimethylamino)piperidin-1-yl]methanone (CID 102563881) is (5-bromopyrimidin-4-yl)-[3-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromopyrimidin-4-yl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromopyrimidin-4-yl)-[3-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCCN(C(=O)c2ncncc2Br)C1.
What is the InChIKey of (5-bromopyrimidin-4-yl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is UYDYDWZEGHZCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O/c1-16(2)9-4-3-5-17(7-9)12(18)11-10(13)6-14-8-15-11/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of (5-bromopyrimidin-4-yl)-[3-(dimethylamino)piperidin-1-yl]methanone?
(5-bromopyrimidin-4-yl)-[3-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 313.20 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromopyrimidin-4-yl)-[3-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 102563881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).