3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol

C11H17ClFN3O — CID 106116858

IUPAC3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nc(Cl)ncc1F
InChIInChI=1S/C11H17ClFN3O/c1-2-3-8(4-5-17)6-14-10-9(13)7-15-11(12)16-10/h7-8,17H,2-6H2,1H3,(H,14,15,16)
InChIKeyAWYMIJPLIJIMOD-UHFFFAOYSA-N
MW261.73 g/mol
LogP2.48
Rot. Bonds7

About 3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol

3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol (PubChem CID 106116858) has the molecular formula C11H17ClFN3O and a molecular weight of 261.73 g/mol. Its IUPAC name is 3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
PubChem CID106116858
Molecular FormulaC11H17ClFN3O
Molecular Weight261.73 g/mol
Exact Mass261.10
IUPAC Name3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nc(Cl)ncc1F
InChIInChI=1S/C11H17ClFN3O/c1-2-3-8(4-5-17)6-14-10-9(13)7-15-11(12)16-10/h7-8,17H,2-6H2,1H3,(H,14,15,16)
InChIKeyAWYMIJPLIJIMOD-UHFFFAOYSA-N
XLogP2.48
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]hexan-1-ol
CID 106118528
3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 114145573
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 89350737
1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107154908
3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 113344426
3-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]hexan-1-ol
CID 106118514
2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine
CID 106196739
3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106116854
4-[(2-chloro-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 79072829
4-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80851152
3-chloro-2-[2-(2-hydroxyethyl)pentylamino]pyridine-4-carboxylic acid
CID 114145424
2-chloro-5-fluoro-N-(2-piperidin-1-ylpropyl)pyrimidin-4-amine
CID 79080736

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol (CID 106116858) is 3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol is CCCC(CCO)CNc1nc(Cl)ncc1F.
What is the InChIKey of 3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol?
The InChIKey is AWYMIJPLIJIMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClFN3O/c1-2-3-8(4-5-17)6-14-10-9(13)7-15-11(12)16-10/h7-8,17H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol?
3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol has a molecular weight of 261.73 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 106116858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).