3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol

C11H18ClN3O — CID 106116854

IUPAC3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1cc(Cl)ncn1
InChIInChI=1S/C11H18ClN3O/c1-2-3-9(4-5-16)7-13-11-6-10(12)14-8-15-11/h6,8-9,16H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyOXMJPTHDXULYFT-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.34
Rot. Bonds7

About 3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol

3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol (PubChem CID 106116854) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol
PubChem CID106116854
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1cc(Cl)ncn1
InChIInChI=1S/C11H18ClN3O/c1-2-3-9(4-5-16)7-13-11-6-10(12)14-8-15-11/h6,8-9,16H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyOXMJPTHDXULYFT-UHFFFAOYSA-N
XLogP2.34
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 114145568
3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106115719
6-chloro-N-(2-methylbutyl)pyrimidin-4-amine
CID 62693783
3-[(6-chloropyrimidin-4-yl)amino]propane-1,2-diol
CID 66169551
3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106113783
3-[(6-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106178679
3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106115794
3-methyl-4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80851233
2-propyl-N-(6-propylpyrimidin-4-yl)butane-1,4-diamine
CID 106116522
3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106118660
3-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 114145570
3-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106115637

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol (CID 106116854) is 3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol is CCCC(CCO)CNc1cc(Cl)ncn1.
What is the InChIKey of 3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol?
The InChIKey is OXMJPTHDXULYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-2-3-9(4-5-16)7-13-11-6-10(12)14-8-15-11/h6,8-9,16H,2-5,7H2,1H3,(H,13,14,15).
What are the key properties of 3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol?
3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol has a molecular weight of 243.74 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 106116854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).