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

C10H15BrN4 — CID 63873022

IUPAC1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2ncc(Br)cn2)C1
InChIInChI=1S/C10H15BrN4/c1-12-4-8-2-3-15(7-8)10-13-5-9(11)6-14-10/h5-6,8,12H,2-4,7H2,1H3
InChIKeyLXVOWHGJCVNPCG-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.28
Rot. Bonds3

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

1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 63873022) has the molecular formula C10H15BrN4 and a molecular weight of 271.16 g/mol. Its IUPAC name is 1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID63873022
Molecular FormulaC10H15BrN4
Molecular Weight271.16 g/mol
Exact Mass270.05
IUPAC Name1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2ncc(Br)cn2)C1
InChIInChI=1S/C10H15BrN4/c1-12-4-8-2-3-15(7-8)10-13-5-9(11)6-14-10/h5-6,8,12H,2-4,7H2,1H3
InChIKeyLXVOWHGJCVNPCG-UHFFFAOYSA-N
XLogP1.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-iodopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 116648585
1-[1-(5-cyclopentylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 116976804
1-[1-(5-bromo-4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 106998129
2-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802313
N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 63873038
N-methyl-1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine
CID 116976203
N-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine
CID 169170213
1-[1-(4-bromo-2,6-dichlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62512255
1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511575
1-[1-(4-ethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 156651528
1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 120964054
1-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylmethanamine
CID 106796530

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine (CID 63873022) is 1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(c2ncc(Br)cn2)C1.
What is the InChIKey of 1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is LXVOWHGJCVNPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4/c1-12-4-8-2-3-15(7-8)10-13-5-9(11)6-14-10/h5-6,8,12H,2-4,7H2,1H3.
What are the key properties of 1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine?
1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 271.16 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 63873022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).