3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

C10H13BrClN3O — CID 106137194

IUPAC3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNc2ncnc(Cl)c2Br)C1
InChIInChI=1S/C10H13BrClN3O/c11-8-9(12)14-5-15-10(8)13-4-6-1-2-7(16)3-6/h5-7,16H,1-4H2,(H,13,14,15)
InChIKeyBKBUKLCIKRYZLC-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.47
Rot. Bonds3

About 3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 106137194) has the molecular formula C10H13BrClN3O and a molecular weight of 306.59 g/mol. Its IUPAC name is 3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
PubChem CID106137194
Molecular FormulaC10H13BrClN3O
Molecular Weight306.59 g/mol
Exact Mass304.99
IUPAC Name3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNc2ncnc(Cl)c2Br)C1
InChIInChI=1S/C10H13BrClN3O/c11-8-9(12)14-5-15-10(8)13-4-6-1-2-7(16)3-6/h5-7,16H,1-4H2,(H,13,14,15)
InChIKeyBKBUKLCIKRYZLC-UHFFFAOYSA-N
XLogP2.47
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66006827
3-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106138684
3-[[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106138049
3-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 103269690
3-[[(5-amino-2-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106119588
5-bromo-N-(2-bromoprop-2-enyl)-6-chloropyrimidin-4-amine
CID 106195566
3-[[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 103269696
3-[[[6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137975
3-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138359
3-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137969
3-[[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138769
3-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 114148518

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (CID 106137194) is 3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is OC1CCC(CNc2ncnc(Cl)c2Br)C1.
What is the InChIKey of 3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is BKBUKLCIKRYZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN3O/c11-8-9(12)14-5-15-10(8)13-4-6-1-2-7(16)3-6/h5-7,16H,1-4H2,(H,13,14,15).
What are the key properties of 3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 306.59 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106137194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).