N-[[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylcyclopropanecarboxamide

C13H17BrN4O — CID 154582457

IUPACN-[[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylcyclopropanecarboxamide
SMILESCN(CC1CN(c2ncc(Br)cn2)C1)C(=O)C1CC1
InChIInChI=1S/C13H17BrN4O/c1-17(12(19)10-2-3-10)6-9-7-18(8-9)13-15-4-11(14)5-16-13/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyVAHKTXLBIUSRMM-UHFFFAOYSA-N
MW325.21 g/mol
LogP1.54
Rot. Bonds4

About N-[[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylcyclopropanecarboxamide

N-[[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylcyclopropanecarboxamide (PubChem CID 154582457) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is N-[[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylcyclopropanecarboxamide
PubChem CID154582457
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC NameN-[[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylcyclopropanecarboxamide
SMILESCN(CC1CN(c2ncc(Br)cn2)C1)C(=O)C1CC1
InChIInChI=1S/C13H17BrN4O/c1-17(12(19)10-2-3-10)6-9-7-18(8-9)13-15-4-11(14)5-16-13/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyVAHKTXLBIUSRMM-UHFFFAOYSA-N
XLogP1.54
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881174
2-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]acetamide
CID 133355987
N-[[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide
CID 136542424
1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 120964054
1-(5-bromopyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106508
1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63873022
1-(5-bromopyrimidin-2-yl)azetidin-3-amine
CID 63873842
1-N,4-N-bis(cyclohexylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112814425
4-[cyclopentylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783865
[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602420
N-[2-[bis(2-hydroxyethyl)amino]ethyl]-4-[2-[(5-bromopyrimidin-2-yl)-methylamino]ethyl]-N-methylcyclohexane-1-carboxamide
CID 90980326
3-(5-bromopyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66370701

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylcyclopropanecarboxamide (CID 154582457) is N-[[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylcyclopropanecarboxamide is CN(CC1CN(c2ncc(Br)cn2)C1)C(=O)C1CC1.
What is the InChIKey of N-[[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylcyclopropanecarboxamide?
The InChIKey is VAHKTXLBIUSRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-17(12(19)10-2-3-10)6-9-7-18(8-9)13-15-4-11(14)5-16-13/h4-5,9-10H,2-3,6-8H2,1H3.
What are the key properties of N-[[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylcyclopropanecarboxamide?
N-[[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylcyclopropanecarboxamide has a molecular weight of 325.21 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 154582457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).