4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid

C14H22N4O2 — CID 68977354

IUPAC4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid
SMILESCc1nc(NC2CCC(C(=O)O)CC2)cc(N(C)C)n1
InChIInChI=1S/C14H22N4O2/c1-9-15-12(8-13(16-9)18(2)3)17-11-6-4-10(5-7-11)14(19)20/h8,10-11H,4-7H2,1-3H3,(H,19,20)(H,15,16,17)
InChIKeyKPKFBTWPFJUNDR-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.91
Rot. Bonds4

About 4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid

4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid (PubChem CID 68977354) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid
PubChem CID68977354
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid
SMILESCc1nc(NC2CCC(C(=O)O)CC2)cc(N(C)C)n1
InChIInChI=1S/C14H22N4O2/c1-9-15-12(8-13(16-9)18(2)3)17-11-6-4-10(5-7-11)14(19)20/h8,10-11H,4-7H2,1-3H3,(H,19,20)(H,15,16,17)
InChIKeyKPKFBTWPFJUNDR-UHFFFAOYSA-N
XLogP1.91
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid (CID 68977354) is 4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid is Cc1nc(NC2CCC(C(=O)O)CC2)cc(N(C)C)n1.
What is the InChIKey of 4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is KPKFBTWPFJUNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9-15-12(8-13(16-9)18(2)3)17-11-6-4-10(5-7-11)14(19)20/h8,10-11H,4-7H2,1-3H3,(H,19,20)(H,15,16,17).
What are the key properties of 4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid?
4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 278.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 68977354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).