5-bromo-2-cyclopentyl-N-propylpyrimidin-4-amine

C12H18BrN3 — CID 66302677

IUPAC5-bromo-2-cyclopentyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CCCC2)ncc1Br
InChIInChI=1S/C12H18BrN3/c1-2-7-14-12-10(13)8-15-11(16-12)9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H,14,15,16)
InChIKeyQESIXYQUUSNUON-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.72
Rot. Bonds4

About 5-bromo-2-cyclopentyl-N-propylpyrimidin-4-amine

5-bromo-2-cyclopentyl-N-propylpyrimidin-4-amine (PubChem CID 66302677) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 5-bromo-2-cyclopentyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-cyclopentyl-N-propylpyrimidin-4-amine
PubChem CID66302677
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name5-bromo-2-cyclopentyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CCCC2)ncc1Br
InChIInChI=1S/C12H18BrN3/c1-2-7-14-12-10(13)8-15-11(16-12)9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H,14,15,16)
InChIKeyQESIXYQUUSNUON-UHFFFAOYSA-N
XLogP3.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-5-iodo-N-propylpyrimidin-4-amine
CID 66303133
5-bromo-2-chloro-N-propylpyrimidin-4-amine
CID 53485997
2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63485968
5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine
CID 80826452
2-cyclooctyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 80610788
5-bromo-2-(2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 66301652
5-bromo-4-N-(2-cyclopentylethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80790917
5-bromo-2-cyclopropyl-4-ethylpyrimidine
CID 82374760
5-bromo-2-cyclopentyl-4-cyclopropylpyrimidine
CID 82374795
3-cyclopentyl-N-propylpyrazin-2-amine
CID 112559366
2-cyclohexyl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63614822
5-bromo-4-N-[(4-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80828904

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclopentyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-cyclopentyl-N-propylpyrimidin-4-amine (CID 66302677) is 5-bromo-2-cyclopentyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-cyclopentyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-cyclopentyl-N-propylpyrimidin-4-amine is CCCNc1nc(C2CCCC2)ncc1Br.
What is the InChIKey of 5-bromo-2-cyclopentyl-N-propylpyrimidin-4-amine?
The InChIKey is QESIXYQUUSNUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-2-7-14-12-10(13)8-15-11(16-12)9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H,14,15,16).
What are the key properties of 5-bromo-2-cyclopentyl-N-propylpyrimidin-4-amine?
5-bromo-2-cyclopentyl-N-propylpyrimidin-4-amine has a molecular weight of 284.20 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclopentyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66302677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).