5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine

C8H11BrN4 — CID 63872650

IUPAC5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine
SMILESBrc1cnc(NC2CCNC2)nc1
InChIInChI=1S/C8H11BrN4/c9-6-3-11-8(12-4-6)13-7-1-2-10-5-7/h3-4,7,10H,1-2,5H2,(H,11,12,13)
InChIKeySCPSQJAXCIJGSE-UHFFFAOYSA-N
MW243.11 g/mol
LogP1.01
Rot. Bonds2

About 5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine

5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine (PubChem CID 63872650) has the molecular formula C8H11BrN4 and a molecular weight of 243.11 g/mol. Its IUPAC name is 5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine
PubChem CID63872650
Molecular FormulaC8H11BrN4
Molecular Weight243.11 g/mol
Exact Mass242.02
IUPAC Name5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine
SMILESBrc1cnc(NC2CCNC2)nc1
InChIInChI=1S/C8H11BrN4/c9-6-3-11-8(12-4-6)13-7-1-2-10-5-7/h3-4,7,10H,1-2,5H2,(H,11,12,13)
InChIKeySCPSQJAXCIJGSE-UHFFFAOYSA-N
XLogP1.01
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.11
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 116974701
N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 125498682
5-bromo-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71636366
5-bromo-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine
CID 106996112
5-(piperidin-4-ylmethoxy)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 123875025
5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 116974721
5-bromo-2-(pyrrolidin-3-ylamino)pyridine-3-carbonitrile
CID 76848539
5-cyclohexyl-N-piperidin-3-ylpyrimidin-2-amine
CID 116974757
N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 168827322
5-chloro-4-N-methyl-2-N-pyrrolidin-3-ylpyrimidine-2,4-diamine
CID 175114467
5-(4-bromothiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine
CID 116974771
N-(5-methoxypyrimidin-2-yl)azepan-3-amine
CID 114600932

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine (CID 63872650) is 5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine is Brc1cnc(NC2CCNC2)nc1.
What is the InChIKey of 5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine?
The InChIKey is SCPSQJAXCIJGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4/c9-6-3-11-8(12-4-6)13-7-1-2-10-5-7/h3-4,7,10H,1-2,5H2,(H,11,12,13).
What are the key properties of 5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine?
5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine has a molecular weight of 243.11 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 63872650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).