1-(3-methylcyclohexyl)oxy-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol

C16H27N3O2 — CID 60970854

IUPAC1-(3-methylcyclohexyl)oxy-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
SMILESCc1nccc(CNCC(O)COC2CCCC(C)C2)n1
InChIInChI=1S/C16H27N3O2/c1-12-4-3-5-16(8-12)21-11-15(20)10-17-9-14-6-7-18-13(2)19-14/h6-7,12,15-17,20H,3-5,8-11H2,1-2H3
InChIKeyYACYHMKJXMFBHQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.83
Rot. Bonds7

About 1-(3-methylcyclohexyl)oxy-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol

1-(3-methylcyclohexyl)oxy-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol (PubChem CID 60970854) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)oxy-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)oxy-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
PubChem CID60970854
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-(3-methylcyclohexyl)oxy-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
SMILESCc1nccc(CNCC(O)COC2CCCC(C)C2)n1
InChIInChI=1S/C16H27N3O2/c1-12-4-3-5-16(8-12)21-11-15(20)10-17-9-14-6-7-18-13(2)19-14/h6-7,12,15-17,20H,3-5,8-11H2,1-2H3
InChIKeyYACYHMKJXMFBHQ-UHFFFAOYSA-N
XLogP1.83
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)oxy-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(3-methylcyclohexyl)oxy-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol (CID 60970854) is 1-(3-methylcyclohexyl)oxy-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(3-methylcyclohexyl)oxy-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(3-methylcyclohexyl)oxy-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol is Cc1nccc(CNCC(O)COC2CCCC(C)C2)n1.
What is the InChIKey of 1-(3-methylcyclohexyl)oxy-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol?
The InChIKey is YACYHMKJXMFBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12-4-3-5-16(8-12)21-11-15(20)10-17-9-14-6-7-18-13(2)19-14/h6-7,12,15-17,20H,3-5,8-11H2,1-2H3.
What are the key properties of 1-(3-methylcyclohexyl)oxy-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol?
1-(3-methylcyclohexyl)oxy-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)oxy-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 60970854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).