4-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid

C18H22N4O2 — CID 122060070

IUPAC4-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESCc1nc(-c2cccnc2)nc(NC2CCC(C(=O)O)CC2)c1C
InChIInChI=1S/C18H22N4O2/c1-11-12(2)20-17(14-4-3-9-19-10-14)22-16(11)21-15-7-5-13(6-8-15)18(23)24/h3-4,9-10,13,15H,5-8H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyAZCZXFNQBMEXBN-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.21
Rot. Bonds4

About 4-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid

4-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 122060070) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID122060070
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESCc1nc(-c2cccnc2)nc(NC2CCC(C(=O)O)CC2)c1C
InChIInChI=1S/C18H22N4O2/c1-11-12(2)20-17(14-4-3-9-19-10-14)22-16(11)21-15-7-5-13(6-8-15)18(23)24/h3-4,9-10,13,15H,5-8H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyAZCZXFNQBMEXBN-UHFFFAOYSA-N
XLogP3.21
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

N-(1,1-dioxothian-4-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 167967042
5-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 133406956
5,6-dimethyl-N-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-pyridin-3-ylpyrimidin-4-amine
CID 96517293
N-(cyclopropylmethyl)-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133334209
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133358055
4-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81423909
4,5,6-trimethyl-2-pyridin-3-ylpyrimidine
CID 157011344
2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
CID 86794201
4-chloro-N-[2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 133334322
4-[3-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]piperidin-1-yl]-3-fluorobenzonitrile
CID 133321580
4-[(2,3-dimethylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060012
N-[2-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)ethyl]cyclopropanamine
CID 62744074

Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid (CID 122060070) is 4-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid is Cc1nc(-c2cccnc2)nc(NC2CCC(C(=O)O)CC2)c1C.
What is the InChIKey of 4-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is AZCZXFNQBMEXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-11-12(2)20-17(14-4-3-9-19-10-14)22-16(11)21-15-7-5-13(6-8-15)18(23)24/h3-4,9-10,13,15H,5-8H2,1-2H3,(H,23,24)(H,20,21,22).
What are the key properties of 4-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
4-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122060070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).