3-[[6-(cyclohexylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid

C18H23N5O2 — CID 56963309

IUPAC3-[[6-(cyclohexylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
SMILESO=C(O)CCNc1cc(NC2CCCCC2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H23N5O2/c24-17(25)9-11-20-15-12-16(21-13-6-2-1-3-7-13)23-18(22-15)14-8-4-5-10-19-14/h4-5,8,10,12-13H,1-3,6-7,9,11H2,(H,24,25)(H2,20,21,22,23)
InChIKeyITCRXWQTMABFKI-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.17
Rot. Bonds7

About 3-[[6-(cyclohexylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid

3-[[6-(cyclohexylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid (PubChem CID 56963309) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-[[6-(cyclohexylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[6-(cyclohexylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
PubChem CID56963309
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-[[6-(cyclohexylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
SMILESO=C(O)CCNc1cc(NC2CCCCC2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H23N5O2/c24-17(25)9-11-20-15-12-16(21-13-6-2-1-3-7-13)23-18(22-15)14-8-4-5-10-19-14/h4-5,8,10,12-13H,1-3,6-7,9,11H2,(H,24,25)(H2,20,21,22,23)
InChIKeyITCRXWQTMABFKI-UHFFFAOYSA-N
XLogP3.17
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[6-(cyclohexylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[6-(2,3-dihydro-1H-inden-2-ylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56963654
3-[[6-(2-phenylethylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56963655
3-[[6-(azepan-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56962975
3-[[6-(4-hydroxypiperidin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56963398
3-[[2-pyridin-2-yl-6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]amino]propanoic acid
CID 56962895
3-[[6-[[2-[3-(methylamino)propanoylamino]acetyl]amino]-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56963223
3-[[6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56963401
4-N-cyclopentyl-6-N-(3-methylbutyl)-2-phenylpyrimidine-4,6-diamine
CID 112880067
N-(2-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
CID 4050048
N-cyclohexyl-2-phenyl-6-pyridin-3-ylpyrimidin-4-amine
CID 4157388
4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoic acid
CID 122058595
N-cyclohexyl-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine
CID 5005272

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(cyclohexylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid?
The IUPAC name of 3-[[6-(cyclohexylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid (CID 56963309) is 3-[[6-(cyclohexylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid.
What is the SMILES notation for 3-[[6-(cyclohexylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid?
The canonical SMILES for 3-[[6-(cyclohexylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid is O=C(O)CCNc1cc(NC2CCCCC2)nc(-c2ccccn2)n1.
What is the InChIKey of 3-[[6-(cyclohexylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid?
The InChIKey is ITCRXWQTMABFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-17(25)9-11-20-15-12-16(21-13-6-2-1-3-7-13)23-18(22-15)14-8-4-5-10-19-14/h4-5,8,10,12-13H,1-3,6-7,9,11H2,(H,24,25)(H2,20,21,22,23).
What are the key properties of 3-[[6-(cyclohexylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid?
3-[[6-(cyclohexylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid has a molecular weight of 341.42 g/mol, XLogP of 3.17, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(cyclohexylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid is sourced from PubChem (CID 56963309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).