1-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol

C11H16BrN3O — CID 114951033

IUPAC1-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1cc(Br)ncn1
InChIInChI=1S/C11H16BrN3O/c1-15(7-11(16)4-2-3-5-11)10-6-9(12)13-8-14-10/h6,8,16H,2-5,7H2,1H3
InChIKeyGOQOEFWFSQNEDL-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.98
Rot. Bonds3

About 1-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol

1-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114951033) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 1-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
PubChem CID114951033
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name1-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1cc(Br)ncn1
InChIInChI=1S/C11H16BrN3O/c1-15(7-11(16)4-2-3-5-11)10-6-9(12)13-8-14-10/h6,8,16H,2-5,7H2,1H3
InChIKeyGOQOEFWFSQNEDL-UHFFFAOYSA-N
XLogP1.98
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114951092
1-[[(4-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 114947474
1-[[[4-(hydroxymethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 114952353
1-[[(6-amino-5-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114072836
1-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
CID 138996094
1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 106796746
1-[[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 104985489
1-[[(6-methoxy-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 114952050
1-[[(3-bromo-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 114952107
1-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114951014
1-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 115774269
1-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114954053

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol (CID 114951033) is 1-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol is CN(CC1(O)CCCC1)c1cc(Br)ncn1.
What is the InChIKey of 1-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is GOQOEFWFSQNEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-15(7-11(16)4-2-3-5-11)10-6-9(12)13-8-14-10/h6,8,16H,2-5,7H2,1H3.
What are the key properties of 1-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
1-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 286.17 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114951033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).