N-ethyl-5-methyl-N-(methylideneamino)-6-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylpyrimidin-4-amine

C24H28N6O — CID 155096503

IUPACN-ethyl-5-methyl-N-(methylideneamino)-6-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylpyrimidin-4-amine
SMILESC=NN(CC)c1nc(-c2cccnc2)nc(N2CCC[C@@H](Oc3ccccc3)C2)c1C
InChIInChI=1S/C24H28N6O/c1-4-30(25-3)24-18(2)23(27-22(28-24)19-10-8-14-26-16-19)29-15-9-13-21(17-29)31-20-11-6-5-7-12-20/h5-8,10-12,14,16,21H,3-4,9,13,15,17H2,1-2H3/t21-/m1/s1
InChIKeyFKBPHCFXDJSQCE-OAQYLSRUSA-N
MW416.53 g/mol
LogP4.34
Rot. Bonds7

About N-ethyl-5-methyl-N-(methylideneamino)-6-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylpyrimidin-4-amine

N-ethyl-5-methyl-N-(methylideneamino)-6-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 155096503) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is N-ethyl-5-methyl-N-(methylideneamino)-6-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-N-(methylideneamino)-6-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID155096503
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC NameN-ethyl-5-methyl-N-(methylideneamino)-6-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylpyrimidin-4-amine
SMILESC=NN(CC)c1nc(-c2cccnc2)nc(N2CCC[C@@H](Oc3ccccc3)C2)c1C
InChIInChI=1S/C24H28N6O/c1-4-30(25-3)24-18(2)23(27-22(28-24)19-10-8-14-26-16-19)29-15-9-13-21(17-29)31-20-11-6-5-7-12-20/h5-8,10-12,14,16,21H,3-4,9,13,15,17H2,1-2H3/t21-/m1/s1
InChIKeyFKBPHCFXDJSQCE-OAQYLSRUSA-N
XLogP4.34
TPSA66.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-ethyl-5-methyl-N-(methylideneamino)-6-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylpyrimidin-4-amine 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

4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline
CID 137470060
1-ethyl-4-[(3S)-3-phenoxypyrrolidin-1-yl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidine
CID 155096536
4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine
CID 154842652
ethyl N-[1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-3-yl]carbamate
CID 133317426
2-methyl-6-(3-pyridin-3-yloxypiperidin-1-yl)pyrazine
CID 166602255
4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 133333971
2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline
CID 2540547
(3S)-3-phenoxy-1-phenylpiperidine
CID 153196970
2,4-dimethoxy-6-(3-pyridin-3-yloxypiperidin-1-yl)-1,3,5-triazine
CID 166602870
2-(3-pyridin-3-yloxypiperidin-1-yl)quinoline
CID 166603710
6-ethyl-4-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965355
N-phenyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-amine
CID 133363141

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-N-(methylideneamino)-6-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-N-(methylideneamino)-6-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylpyrimidin-4-amine (CID 155096503) is N-ethyl-5-methyl-N-(methylideneamino)-6-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-N-(methylideneamino)-6-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-N-(methylideneamino)-6-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylpyrimidin-4-amine is C=NN(CC)c1nc(-c2cccnc2)nc(N2CCC[C@@H](Oc3ccccc3)C2)c1C.
What is the InChIKey of N-ethyl-5-methyl-N-(methylideneamino)-6-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is FKBPHCFXDJSQCE-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H28N6O/c1-4-30(25-3)24-18(2)23(27-22(28-24)19-10-8-14-26-16-19)29-15-9-13-21(17-29)31-20-11-6-5-7-12-20/h5-8,10-12,14,16,21H,3-4,9,13,15,17H2,1-2H3/t21-/m1/s1.
What are the key properties of N-ethyl-5-methyl-N-(methylideneamino)-6-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylpyrimidin-4-amine?
N-ethyl-5-methyl-N-(methylideneamino)-6-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 416.53 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-N-(methylideneamino)-6-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 155096503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).