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

C14H22N4O2 — CID 64829261

IUPAC2-cyclohexyl-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid
SMILESCN(C)c1nccc(NC(C(=O)O)C2CCCCC2)n1
InChIInChI=1S/C14H22N4O2/c1-18(2)14-15-9-8-11(17-14)16-12(13(19)20)10-6-4-3-5-7-10/h8-10,12H,3-7H2,1-2H3,(H,19,20)(H,15,16,17)
InChIKeyONPARFPGXCACFT-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.99
Rot. Bonds5

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

2-cyclohexyl-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid (PubChem CID 64829261) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-cyclohexyl-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid
PubChem CID64829261
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-cyclohexyl-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid
SMILESCN(C)c1nccc(NC(C(=O)O)C2CCCCC2)n1
InChIInChI=1S/C14H22N4O2/c1-18(2)14-15-9-8-11(17-14)16-12(13(19)20)10-6-4-3-5-7-10/h8-10,12H,3-7H2,1-2H3,(H,19,20)(H,15,16,17)
InChIKeyONPARFPGXCACFT-UHFFFAOYSA-N
XLogP1.99
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid (CID 64829261) is 2-cyclohexyl-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid is CN(C)c1nccc(NC(C(=O)O)C2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid?
The InChIKey is ONPARFPGXCACFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-18(2)14-15-9-8-11(17-14)16-12(13(19)20)10-6-4-3-5-7-10/h8-10,12H,3-7H2,1-2H3,(H,19,20)(H,15,16,17).
What are the key properties of 2-cyclohexyl-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid?
2-cyclohexyl-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid has a molecular weight of 278.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid is sourced from PubChem (CID 64829261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).