3-cyclohexyl-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol

C16H27N3O — CID 133460886

IUPAC3-cyclohexyl-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol
SMILESCCc1cc(NC(CCO)C2CCCCC2)nc(C)n1
InChIInChI=1S/C16H27N3O/c1-3-14-11-16(18-12(2)17-14)19-15(9-10-20)13-7-5-4-6-8-13/h11,13,15,20H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyBBSHQDISKLEGOB-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.09
Rot. Bonds6

About 3-cyclohexyl-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol

3-cyclohexyl-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol (PubChem CID 133460886) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-cyclohexyl-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-cyclohexyl-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol
PubChem CID133460886
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-cyclohexyl-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol
SMILESCCc1cc(NC(CCO)C2CCCCC2)nc(C)n1
InChIInChI=1S/C16H27N3O/c1-3-14-11-16(18-12(2)17-14)19-15(9-10-20)13-7-5-4-6-8-13/h11,13,15,20H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyBBSHQDISKLEGOB-UHFFFAOYSA-N
XLogP3.09
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-cyclohexyl-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol (CID 133460886) is 3-cyclohexyl-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-cyclohexyl-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-cyclohexyl-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol is CCc1cc(NC(CCO)C2CCCCC2)nc(C)n1.
What is the InChIKey of 3-cyclohexyl-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is BBSHQDISKLEGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-14-11-16(18-12(2)17-14)19-15(9-10-20)13-7-5-4-6-8-13/h11,13,15,20H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of 3-cyclohexyl-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol?
3-cyclohexyl-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 133460886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).