1-[(pyrimidin-2-ylmethylamino)methyl]cycloheptan-1-ol

C13H21N3O — CID 65123258

IUPAC1-[(pyrimidin-2-ylmethylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNCc2ncccn2)CCCCCC1
InChIInChI=1S/C13H21N3O/c17-13(6-3-1-2-4-7-13)11-14-10-12-15-8-5-9-16-12/h5,8-9,14,17H,1-4,6-7,10-11H2
InChIKeyQTUAJMORYAWCBY-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.65
Rot. Bonds4

About 1-[(pyrimidin-2-ylmethylamino)methyl]cycloheptan-1-ol

1-[(pyrimidin-2-ylmethylamino)methyl]cycloheptan-1-ol (PubChem CID 65123258) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(pyrimidin-2-ylmethylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(pyrimidin-2-ylmethylamino)methyl]cycloheptan-1-ol
PubChem CID65123258
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[(pyrimidin-2-ylmethylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNCc2ncccn2)CCCCCC1
InChIInChI=1S/C13H21N3O/c17-13(6-3-1-2-4-7-13)11-14-10-12-15-8-5-9-16-12/h5,8-9,14,17H,1-4,6-7,10-11H2
InChIKeyQTUAJMORYAWCBY-UHFFFAOYSA-N
XLogP1.65
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[(pyrimidin-2-ylmethylamino)methyl]cyclohexan-1-ol
CID 65116294
1-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 103882321
1-[(quinolin-4-ylmethylamino)methyl]cyclohexan-1-ol
CID 63851922
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 63934531
1-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 107042475
1-[[(5-methylpyrazin-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 65210694
1-[[(5-chloro-1-methylimidazol-2-yl)methylamino]methyl]cycloheptan-1-ol
CID 65122472
1-cyclohexyl-N-(pyrimidin-2-ylmethyl)methanamine
CID 62698021
1-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 107230629
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol
CID 126846834

Frequently Asked Questions

What is the IUPAC name of 1-[(pyrimidin-2-ylmethylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(pyrimidin-2-ylmethylamino)methyl]cycloheptan-1-ol (CID 65123258) is 1-[(pyrimidin-2-ylmethylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(pyrimidin-2-ylmethylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(pyrimidin-2-ylmethylamino)methyl]cycloheptan-1-ol is OC1(CNCc2ncccn2)CCCCCC1.
What is the InChIKey of 1-[(pyrimidin-2-ylmethylamino)methyl]cycloheptan-1-ol?
The InChIKey is QTUAJMORYAWCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c17-13(6-3-1-2-4-7-13)11-14-10-12-15-8-5-9-16-12/h5,8-9,14,17H,1-4,6-7,10-11H2.
What are the key properties of 1-[(pyrimidin-2-ylmethylamino)methyl]cycloheptan-1-ol?
1-[(pyrimidin-2-ylmethylamino)methyl]cycloheptan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(pyrimidin-2-ylmethylamino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 65123258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).