1-[[(6-amino-5-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol

C11H17BrN4O — CID 114072836

IUPAC1-[[(6-amino-5-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1ncnc(N)c1Br
InChIInChI=1S/C11H17BrN4O/c1-16(6-11(17)4-2-3-5-11)10-8(12)9(13)14-7-15-10/h7,17H,2-6H2,1H3,(H2,13,14,15)
InChIKeyMQWXGKAFSIGFEV-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.56
Rot. Bonds3

About 1-[[(6-amino-5-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol

1-[[(6-amino-5-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114072836) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 1-[[(6-amino-5-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(6-amino-5-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
PubChem CID114072836
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name1-[[(6-amino-5-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1ncnc(N)c1Br
InChIInChI=1S/C11H17BrN4O/c1-16(6-11(17)4-2-3-5-11)10-8(12)9(13)14-7-15-10/h7,17H,2-6H2,1H3,(H2,13,14,15)
InChIKeyMQWXGKAFSIGFEV-UHFFFAOYSA-N
XLogP1.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114953995
1-[[(6-amino-5-nitropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114953991
1-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114951033
1-[[(3-bromo-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 114952107
4-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954120
1-[[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114954073
1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 106796746
1-[[(6-methoxy-5-nitropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114952069
4-[[(5-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114952153
1-[(2-amino-5-bromo-N-methylanilino)methyl]cyclopentan-1-ol
CID 114947477
1-[[(4-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 114947474
1-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 115774269

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-amino-5-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(6-amino-5-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol (CID 114072836) is 1-[[(6-amino-5-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(6-amino-5-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(6-amino-5-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol is CN(CC1(O)CCCC1)c1ncnc(N)c1Br.
What is the InChIKey of 1-[[(6-amino-5-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is MQWXGKAFSIGFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-16(6-11(17)4-2-3-5-11)10-8(12)9(13)14-7-15-10/h7,17H,2-6H2,1H3,(H2,13,14,15).
What are the key properties of 1-[[(6-amino-5-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
1-[[(6-amino-5-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 301.19 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-amino-5-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114072836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).