3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol

C14H25N3O2 — CID 106115719

IUPAC3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1cc(OC(C)C)ncn1
InChIInChI=1S/C14H25N3O2/c1-4-5-12(6-7-18)9-15-13-8-14(17-10-16-13)19-11(2)3/h8,10-12,18H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyGCLCQKCFIRCEFL-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.47
Rot. Bonds9

About 3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol

3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol (PubChem CID 106115719) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol
PubChem CID106115719
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1cc(OC(C)C)ncn1
InChIInChI=1S/C14H25N3O2/c1-4-5-12(6-7-18)9-15-13-8-14(17-10-16-13)19-11(2)3/h8,10-12,18H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyGCLCQKCFIRCEFL-UHFFFAOYSA-N
XLogP2.47
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106116854
6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 83143319
1,1,1-trifluoro-3-[(6-propan-2-yloxypyrimidin-4-yl)amino]propan-2-ol
CID 114093682
3-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106113705
3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 66329217
2-[(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid
CID 66334030
N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334042
N',N'-diethyl-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine
CID 66325096
N-(2-ethylhexyl)-6-propoxypyrimidin-4-amine
CID 107816415
2-ethyl-1-N-(6-propan-2-yloxypyrimidin-4-yl)butane-1,2-diamine
CID 113283234
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

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol (CID 106115719) is 3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol is CCCC(CCO)CNc1cc(OC(C)C)ncn1.
What is the InChIKey of 3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol?
The InChIKey is GCLCQKCFIRCEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-5-12(6-7-18)9-15-13-8-14(17-10-16-13)19-11(2)3/h8,10-12,18H,4-7,9H2,1-3H3,(H,15,16,17).
What are the key properties of 3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol?
3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 106115719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).