1-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]cycloheptan-1-ol

C17H28N4O2 — CID 111425339

IUPAC1-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]cycloheptan-1-ol
SMILESOC1(CNCc2cnc(N3CCOCC3)nc2)CCCCCC1
InChIInChI=1S/C17H28N4O2/c22-17(5-3-1-2-4-6-17)14-18-11-15-12-19-16(20-13-15)21-7-9-23-10-8-21/h12-13,18,22H,1-11,14H2
InChIKeyHMWHINWLSIIKLJ-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.49
Rot. Bonds5

About 1-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]cycloheptan-1-ol

1-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]cycloheptan-1-ol (PubChem CID 111425339) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]cycloheptan-1-ol
PubChem CID111425339
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]cycloheptan-1-ol
SMILESOC1(CNCc2cnc(N3CCOCC3)nc2)CCCCCC1
InChIInChI=1S/C17H28N4O2/c22-17(5-3-1-2-4-6-17)14-18-11-15-12-19-16(20-13-15)21-7-9-23-10-8-21/h12-13,18,22H,1-11,14H2
InChIKeyHMWHINWLSIIKLJ-UHFFFAOYSA-N
XLogP1.49
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]cycloheptan-1-ol (CID 111425339) is 1-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]cycloheptan-1-ol is OC1(CNCc2cnc(N3CCOCC3)nc2)CCCCCC1.
What is the InChIKey of 1-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]cycloheptan-1-ol?
The InChIKey is HMWHINWLSIIKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c22-17(5-3-1-2-4-6-17)14-18-11-15-12-19-16(20-13-15)21-7-9-23-10-8-21/h12-13,18,22H,1-11,14H2.
What are the key properties of 1-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]cycloheptan-1-ol?
1-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]cycloheptan-1-ol has a molecular weight of 320.44 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 111425339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).