N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexanamine

C13H21N3O2 — CID 43552107

IUPACN-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexanamine
SMILESCOc1ncnc(OC)c1CNC1CCCCC1
InChIInChI=1S/C13H21N3O2/c1-17-12-11(13(18-2)16-9-15-12)8-14-10-6-4-3-5-7-10/h9-10,14H,3-8H2,1-2H3
InChIKeyJPSKAWPNWYWMBF-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.92
Rot. Bonds5

About N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexanamine

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexanamine (PubChem CID 43552107) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexanamine
PubChem CID43552107
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexanamine
SMILESCOc1ncnc(OC)c1CNC1CCCCC1
InChIInChI=1S/C13H21N3O2/c1-17-12-11(13(18-2)16-9-15-12)8-14-10-6-4-3-5-7-10/h9-10,14H,3-8H2,1-2H3
InChIKeyJPSKAWPNWYWMBF-UHFFFAOYSA-N
XLogP1.92
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexanamine (CID 43552107) is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexanamine is COc1ncnc(OC)c1CNC1CCCCC1.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexanamine?
The InChIKey is JPSKAWPNWYWMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-17-12-11(13(18-2)16-9-15-12)8-14-10-6-4-3-5-7-10/h9-10,14H,3-8H2,1-2H3.
What are the key properties of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexanamine?
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexanamine has a molecular weight of 251.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexanamine is sourced from PubChem (CID 43552107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).