[1-(pyrimidin-4-ylmethylamino)cyclohexyl]methanol

C12H19N3O — CID 62747313

IUPAC[1-(pyrimidin-4-ylmethylamino)cyclohexyl]methanol
SMILESOCC1(NCc2ccncn2)CCCCC1
InChIInChI=1S/C12H19N3O/c16-9-12(5-2-1-3-6-12)15-8-11-4-7-13-10-14-11/h4,7,10,15-16H,1-3,5-6,8-9H2
InChIKeyDVICWAUVKYORCE-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.26
Rot. Bonds4

About [1-(pyrimidin-4-ylmethylamino)cyclohexyl]methanol

[1-(pyrimidin-4-ylmethylamino)cyclohexyl]methanol (PubChem CID 62747313) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [1-(pyrimidin-4-ylmethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(pyrimidin-4-ylmethylamino)cyclohexyl]methanol
PubChem CID62747313
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[1-(pyrimidin-4-ylmethylamino)cyclohexyl]methanol
SMILESOCC1(NCc2ccncn2)CCCCC1
InChIInChI=1S/C12H19N3O/c16-9-12(5-2-1-3-6-12)15-8-11-4-7-13-10-14-11/h4,7,10,15-16H,1-3,5-6,8-9H2
InChIKeyDVICWAUVKYORCE-UHFFFAOYSA-N
XLogP1.26
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(pyrimidin-4-ylmethylamino)cyclohexyl]methanol?
The IUPAC name of [1-(pyrimidin-4-ylmethylamino)cyclohexyl]methanol (CID 62747313) is [1-(pyrimidin-4-ylmethylamino)cyclohexyl]methanol.
What is the SMILES notation for [1-(pyrimidin-4-ylmethylamino)cyclohexyl]methanol?
The canonical SMILES for [1-(pyrimidin-4-ylmethylamino)cyclohexyl]methanol is OCC1(NCc2ccncn2)CCCCC1.
What is the InChIKey of [1-(pyrimidin-4-ylmethylamino)cyclohexyl]methanol?
The InChIKey is DVICWAUVKYORCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c16-9-12(5-2-1-3-6-12)15-8-11-4-7-13-10-14-11/h4,7,10,15-16H,1-3,5-6,8-9H2.
What are the key properties of [1-(pyrimidin-4-ylmethylamino)cyclohexyl]methanol?
[1-(pyrimidin-4-ylmethylamino)cyclohexyl]methanol has a molecular weight of 221.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(pyrimidin-4-ylmethylamino)cyclohexyl]methanol is sourced from PubChem (CID 62747313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).