N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine

C12H19BrN4 — CID 71995855

IUPACN-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine
SMILESCCN(C)CC1CCN(c2ncc(Br)cn2)C1
InChIInChI=1S/C12H19BrN4/c1-3-16(2)8-10-4-5-17(9-10)12-14-6-11(13)7-15-12/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyAUOXKILORCRCLQ-UHFFFAOYSA-N
MW299.22 g/mol
LogP2.02
Rot. Bonds4

About N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine

N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine (PubChem CID 71995855) has the molecular formula C12H19BrN4 and a molecular weight of 299.22 g/mol. Its IUPAC name is N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine
PubChem CID71995855
Molecular FormulaC12H19BrN4
Molecular Weight299.22 g/mol
Exact Mass298.08
IUPAC NameN-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine
SMILESCCN(C)CC1CCN(c2ncc(Br)cn2)C1
InChIInChI=1S/C12H19BrN4/c1-3-16(2)8-10-4-5-17(9-10)12-14-6-11(13)7-15-12/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyAUOXKILORCRCLQ-UHFFFAOYSA-N
XLogP2.02
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine?
The IUPAC name of N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine (CID 71995855) is N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine.
What is the SMILES notation for N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine?
The canonical SMILES for N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine is CCN(C)CC1CCN(c2ncc(Br)cn2)C1.
What is the InChIKey of N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine?
The InChIKey is AUOXKILORCRCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4/c1-3-16(2)8-10-4-5-17(9-10)12-14-6-11(13)7-15-12/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine?
N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine has a molecular weight of 299.22 g/mol, XLogP of 2.02, 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)pyrrolidin-3-yl]methyl]-N-methylethanamine is sourced from PubChem (CID 71995855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).