N-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]cyclohexyl]acetamide

C14H22N4O — CID 90245746

IUPACN-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]cyclohexyl]acetamide
SMILESCC(=O)N(C)C1CCC(Nc2cc(C)ncn2)CC1
InChIInChI=1S/C14H22N4O/c1-10-8-14(16-9-15-10)17-12-4-6-13(7-5-12)18(3)11(2)19/h8-9,12-13H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyNNQAJVXJOSMMQE-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.99
Rot. Bonds3

About N-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]cyclohexyl]acetamide

N-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]cyclohexyl]acetamide (PubChem CID 90245746) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]cyclohexyl]acetamide
PubChem CID90245746
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]cyclohexyl]acetamide
SMILESCC(=O)N(C)C1CCC(Nc2cc(C)ncn2)CC1
InChIInChI=1S/C14H22N4O/c1-10-8-14(16-9-15-10)17-12-4-6-13(7-5-12)18(3)11(2)19/h8-9,12-13H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyNNQAJVXJOSMMQE-UHFFFAOYSA-N
XLogP1.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]cyclohexyl]acetamide?
The IUPAC name of N-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]cyclohexyl]acetamide (CID 90245746) is N-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]cyclohexyl]acetamide.
What is the SMILES notation for N-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]cyclohexyl]acetamide?
The canonical SMILES for N-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]cyclohexyl]acetamide is CC(=O)N(C)C1CCC(Nc2cc(C)ncn2)CC1.
What is the InChIKey of N-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]cyclohexyl]acetamide?
The InChIKey is NNQAJVXJOSMMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-8-14(16-9-15-10)17-12-4-6-13(7-5-12)18(3)11(2)19/h8-9,12-13H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of N-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]cyclohexyl]acetamide?
N-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]cyclohexyl]acetamide has a molecular weight of 262.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]cyclohexyl]acetamide is sourced from PubChem (CID 90245746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).