2-[1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]cyclohexyl]acetic acid

C15H24N4O2 — CID 65243266

IUPAC2-[1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]cyclohexyl]acetic acid
SMILESCN(C)c1nccc(N(C)C2(CC(=O)O)CCCCC2)n1
InChIInChI=1S/C15H24N4O2/c1-18(2)14-16-10-7-12(17-14)19(3)15(11-13(20)21)8-5-4-6-9-15/h7,10H,4-6,8-9,11H2,1-3H3,(H,20,21)
InChIKeyAHYPCVGFKIGTDW-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.16
Rot. Bonds5

About 2-[1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]cyclohexyl]acetic acid

2-[1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]cyclohexyl]acetic acid (PubChem CID 65243266) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]cyclohexyl]acetic acid
PubChem CID65243266
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]cyclohexyl]acetic acid
SMILESCN(C)c1nccc(N(C)C2(CC(=O)O)CCCCC2)n1
InChIInChI=1S/C15H24N4O2/c1-18(2)14-16-10-7-12(17-14)19(3)15(11-13(20)21)8-5-4-6-9-15/h7,10H,4-6,8-9,11H2,1-3H3,(H,20,21)
InChIKeyAHYPCVGFKIGTDW-UHFFFAOYSA-N
XLogP2.16
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]cyclohexyl]acetic acid (CID 65243266) is 2-[1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]cyclohexyl]acetic acid is CN(C)c1nccc(N(C)C2(CC(=O)O)CCCCC2)n1.
What is the InChIKey of 2-[1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]cyclohexyl]acetic acid?
The InChIKey is AHYPCVGFKIGTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-18(2)14-16-10-7-12(17-14)19(3)15(11-13(20)21)8-5-4-6-9-15/h7,10H,4-6,8-9,11H2,1-3H3,(H,20,21).
What are the key properties of 2-[1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]cyclohexyl]acetic acid?
2-[1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]cyclohexyl]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 65243266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).