[2-[(5-bromopyrimidin-2-yl)amino]-1-methylcyclopentyl]methanol

C11H16BrN3O — CID 71998147

IUPAC[2-[(5-bromopyrimidin-2-yl)amino]-1-methylcyclopentyl]methanol
SMILESCC1(CO)CCCC1Nc1ncc(Br)cn1
InChIInChI=1S/C11H16BrN3O/c1-11(7-16)4-2-3-9(11)15-10-13-5-8(12)6-14-10/h5-6,9,16H,2-4,7H2,1H3,(H,13,14,15)
InChIKeyLIPQKMUTYLZAIO-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.20
Rot. Bonds3

About [2-[(5-bromopyrimidin-2-yl)amino]-1-methylcyclopentyl]methanol

[2-[(5-bromopyrimidin-2-yl)amino]-1-methylcyclopentyl]methanol (PubChem CID 71998147) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is [2-[(5-bromopyrimidin-2-yl)amino]-1-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(5-bromopyrimidin-2-yl)amino]-1-methylcyclopentyl]methanol
PubChem CID71998147
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name[2-[(5-bromopyrimidin-2-yl)amino]-1-methylcyclopentyl]methanol
SMILESCC1(CO)CCCC1Nc1ncc(Br)cn1
InChIInChI=1S/C11H16BrN3O/c1-11(7-16)4-2-3-9(11)15-10-13-5-8(12)6-14-10/h5-6,9,16H,2-4,7H2,1H3,(H,13,14,15)
InChIKeyLIPQKMUTYLZAIO-UHFFFAOYSA-N
XLogP2.20
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromopyrimidin-2-yl)amino]-1-methylcyclopentyl]methanol?
The IUPAC name of [2-[(5-bromopyrimidin-2-yl)amino]-1-methylcyclopentyl]methanol (CID 71998147) is [2-[(5-bromopyrimidin-2-yl)amino]-1-methylcyclopentyl]methanol.
What is the SMILES notation for [2-[(5-bromopyrimidin-2-yl)amino]-1-methylcyclopentyl]methanol?
The canonical SMILES for [2-[(5-bromopyrimidin-2-yl)amino]-1-methylcyclopentyl]methanol is CC1(CO)CCCC1Nc1ncc(Br)cn1.
What is the InChIKey of [2-[(5-bromopyrimidin-2-yl)amino]-1-methylcyclopentyl]methanol?
The InChIKey is LIPQKMUTYLZAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-11(7-16)4-2-3-9(11)15-10-13-5-8(12)6-14-10/h5-6,9,16H,2-4,7H2,1H3,(H,13,14,15).
What are the key properties of [2-[(5-bromopyrimidin-2-yl)amino]-1-methylcyclopentyl]methanol?
[2-[(5-bromopyrimidin-2-yl)amino]-1-methylcyclopentyl]methanol has a molecular weight of 286.17 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-bromopyrimidin-2-yl)amino]-1-methylcyclopentyl]methanol is sourced from PubChem (CID 71998147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).