1-[amino(pyrimidin-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine

C13H22N4 — CID 79066212

IUPAC1-[amino(pyrimidin-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(N)c2cncnc2)CCCCC1
InChIInChI=1S/C13H22N4/c1-17(2)13(6-4-3-5-7-13)12(14)11-8-15-10-16-9-11/h8-10,12H,3-7,14H2,1-2H3
InChIKeyMTFTUQDQHSGLSC-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.74
Rot. Bonds3

About 1-[amino(pyrimidin-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine

1-[amino(pyrimidin-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79066212) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-[amino(pyrimidin-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[amino(pyrimidin-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79066212
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1-[amino(pyrimidin-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(N)c2cncnc2)CCCCC1
InChIInChI=1S/C13H22N4/c1-17(2)13(6-4-3-5-7-13)12(14)11-8-15-10-16-9-11/h8-10,12H,3-7,14H2,1-2H3
InChIKeyMTFTUQDQHSGLSC-UHFFFAOYSA-N
XLogP1.74
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[amino(pyrimidin-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[amino(pyrimidin-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine (CID 79066212) is 1-[amino(pyrimidin-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[amino(pyrimidin-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[amino(pyrimidin-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine is CN(C)C1(C(N)c2cncnc2)CCCCC1.
What is the InChIKey of 1-[amino(pyrimidin-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is MTFTUQDQHSGLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-17(2)13(6-4-3-5-7-13)12(14)11-8-15-10-16-9-11/h8-10,12H,3-7,14H2,1-2H3.
What are the key properties of 1-[amino(pyrimidin-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine?
1-[amino(pyrimidin-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 234.35 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(pyrimidin-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79066212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).