3-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclopentan-1-ol

C10H14BrN3O — CID 103269690

IUPAC3-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNc2ncc(Br)cn2)C1
InChIInChI=1S/C10H14BrN3O/c11-8-5-13-10(14-6-8)12-4-7-1-2-9(15)3-7/h5-7,9,15H,1-4H2,(H,12,13,14)
InChIKeyABJJMJWYFRISLU-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.81
Rot. Bonds3

About 3-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclopentan-1-ol

3-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 103269690) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 3-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
PubChem CID103269690
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name3-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNc2ncc(Br)cn2)C1
InChIInChI=1S/C10H14BrN3O/c11-8-5-13-10(14-6-8)12-4-7-1-2-9(15)3-7/h5-7,9,15H,1-4H2,(H,12,13,14)
InChIKeyABJJMJWYFRISLU-UHFFFAOYSA-N
XLogP1.81
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(4-chlorocyclohexyl)methyl]pyrimidin-2-amine
CID 106126066
5-bromo-N-[(1-methylazetidin-3-yl)methyl]pyrimidin-2-amine
CID 131065097
4-[[(5-chloropyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106130672
3-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137969
3-[(pyrazin-2-ylamino)methyl]cyclopentan-1-ol
CID 103269740
N-[(3-chlorocyclopentyl)methyl]-5-iodopyrimidin-2-amine
CID 106123816
3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106137194
3-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 106119555
3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137925
N-(cyclopropylmethyl)-5-iodopyrimidin-2-amine
CID 115620662
4-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 106129928
3-[(2-amino-5-bromoanilino)methyl]cyclopentan-1-ol
CID 106119622

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclopentan-1-ol (CID 103269690) is 3-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclopentan-1-ol is OC1CCC(CNc2ncc(Br)cn2)C1.
What is the InChIKey of 3-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is ABJJMJWYFRISLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c11-8-5-13-10(14-6-8)12-4-7-1-2-9(15)3-7/h5-7,9,15H,1-4H2,(H,12,13,14).
What are the key properties of 3-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclopentan-1-ol?
3-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 272.15 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103269690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).