N-methyl-4-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxamide

C16H26N4O — CID 131924476

IUPACN-methyl-4-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(CNc2nc(C)nc(C)c2C)CC1
InChIInChI=1S/C16H26N4O/c1-10-11(2)19-12(3)20-15(10)18-9-13-5-7-14(8-6-13)16(21)17-4/h13-14H,5-9H2,1-4H3,(H,17,21)(H,18,19,20)
InChIKeyDZABATGINGJITG-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.37
Rot. Bonds4

About N-methyl-4-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxamide

N-methyl-4-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxamide (PubChem CID 131924476) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-methyl-4-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxamide
PubChem CID131924476
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-methyl-4-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(CNc2nc(C)nc(C)c2C)CC1
InChIInChI=1S/C16H26N4O/c1-10-11(2)19-12(3)20-15(10)18-9-13-5-7-14(8-6-13)16(21)17-4/h13-14H,5-9H2,1-4H3,(H,17,21)(H,18,19,20)
InChIKeyDZABATGINGJITG-UHFFFAOYSA-N
XLogP2.37
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-methyl-4-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxamide (CID 131924476) is N-methyl-4-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-4-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-4-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxamide is CNC(=O)C1CCC(CNc2nc(C)nc(C)c2C)CC1.
What is the InChIKey of N-methyl-4-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxamide?
The InChIKey is DZABATGINGJITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-10-11(2)19-12(3)20-15(10)18-9-13-5-7-14(8-6-13)16(21)17-4/h13-14H,5-9H2,1-4H3,(H,17,21)(H,18,19,20).
What are the key properties of N-methyl-4-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxamide?
N-methyl-4-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 131924476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).