4-[[(4-phenyl-6-pyridin-4-ylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid

C23H24N4O2 — CID 118724773

IUPAC4-[[(4-phenyl-6-pyridin-4-ylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNc2nc(-c3ccccc3)cc(-c3ccncc3)n2)CC1
InChIInChI=1S/C23H24N4O2/c28-22(29)19-8-6-16(7-9-19)15-25-23-26-20(17-4-2-1-3-5-17)14-21(27-23)18-10-12-24-13-11-18/h1-5,10-14,16,19H,6-9,15H2,(H,28,29)(H,25,26,27)
InChIKeyBWVSJNJIHSBPIO-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.51
Rot. Bonds6

About 4-[[(4-phenyl-6-pyridin-4-ylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid

4-[[(4-phenyl-6-pyridin-4-ylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 118724773) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-[[(4-phenyl-6-pyridin-4-ylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(4-phenyl-6-pyridin-4-ylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID118724773
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name4-[[(4-phenyl-6-pyridin-4-ylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNc2nc(-c3ccccc3)cc(-c3ccncc3)n2)CC1
InChIInChI=1S/C23H24N4O2/c28-22(29)19-8-6-16(7-9-19)15-25-23-26-20(17-4-2-1-3-5-17)14-21(27-23)18-10-12-24-13-11-18/h1-5,10-14,16,19H,6-9,15H2,(H,28,29)(H,25,26,27)
InChIKeyBWVSJNJIHSBPIO-UHFFFAOYSA-N
XLogP4.51
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxylic acid
CID 118724387
tris(N-(cyclopropylmethyl)-6-phenyl-4-pyridin-4-ylpyridazin-3-amine);hydrochloride
CID 54759460
[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid
CID 69025406
4-[[[4-(benzylamino)-6-[3-(hydroxymethyl)phenyl]pyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxamide
CID 118724804
N-(cyclopropylmethyl)-6-phenyl-4-pyridin-4-ylpyridazin-3-amine;hydrobromide
CID 54762207
4-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525747
4-[[[4-(benzylamino)-6-thiophen-3-ylpyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxamide
CID 118724817
4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934103
4-[(3-phenylprop-2-ynylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532149
4-[(3-pyridin-4-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 104963619
2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840
4-N-(oxolan-2-ylmethyl)-6-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112935622

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-phenyl-6-pyridin-4-ylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(4-phenyl-6-pyridin-4-ylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid (CID 118724773) is 4-[[(4-phenyl-6-pyridin-4-ylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(4-phenyl-6-pyridin-4-ylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(4-phenyl-6-pyridin-4-ylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(CNc2nc(-c3ccccc3)cc(-c3ccncc3)n2)CC1.
What is the InChIKey of 4-[[(4-phenyl-6-pyridin-4-ylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is BWVSJNJIHSBPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-22(29)19-8-6-16(7-9-19)15-25-23-26-20(17-4-2-1-3-5-17)14-21(27-23)18-10-12-24-13-11-18/h1-5,10-14,16,19H,6-9,15H2,(H,28,29)(H,25,26,27).
What are the key properties of 4-[[(4-phenyl-6-pyridin-4-ylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
4-[[(4-phenyl-6-pyridin-4-ylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 388.47 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-phenyl-6-pyridin-4-ylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 118724773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).