N-[(E)-(3-methylphenyl)methylideneamino]-6-piperidin-1-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-amine

C24H28N6O2 — CID 89163617

IUPACN-[(E)-(3-methylphenyl)methylideneamino]-6-piperidin-1-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-amine
SMILESCc1cccc(/C=N/Nc2cc(N3CCCCC3)nc(OCCOc3cccnc3)n2)c1
InChIInChI=1S/C24H28N6O2/c1-19-7-5-8-20(15-19)17-26-29-22-16-23(30-11-3-2-4-12-30)28-24(27-22)32-14-13-31-21-9-6-10-25-18-21/h5-10,15-18H,2-4,11-14H2,1H3,(H,27,28,29)/b26-17+
InChIKeyFNWAPFWXQYLMPN-YZSQISJMSA-N
MW432.53 g/mol
LogP4.07
Rot. Bonds9

About N-[(E)-(3-methylphenyl)methylideneamino]-6-piperidin-1-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-amine

N-[(E)-(3-methylphenyl)methylideneamino]-6-piperidin-1-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-amine (PubChem CID 89163617) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[(E)-(3-methylphenyl)methylideneamino]-6-piperidin-1-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(E)-(3-methylphenyl)methylideneamino]-6-piperidin-1-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-amine
PubChem CID89163617
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC NameN-[(E)-(3-methylphenyl)methylideneamino]-6-piperidin-1-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-amine
SMILESCc1cccc(/C=N/Nc2cc(N3CCCCC3)nc(OCCOc3cccnc3)n2)c1
InChIInChI=1S/C24H28N6O2/c1-19-7-5-8-20(15-19)17-26-29-22-16-23(30-11-3-2-4-12-30)28-24(27-22)32-14-13-31-21-9-6-10-25-18-21/h5-10,15-18H,2-4,11-14H2,1H3,(H,27,28,29)/b26-17+
InChIKeyFNWAPFWXQYLMPN-YZSQISJMSA-N
XLogP4.07
TPSA84.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-3-yloxypyrimidin-4-amine
CID 10194138
6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 66681684
N-[(3-methylphenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 4679735
(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]oxymethanimine
CID 11510369
2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl morpholine-4-carboxylate
CID 58613205
6-imidazol-1-yl-2-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidin-4-amine
CID 11494065
N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine
CID 66683532
N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673900
ethyl 3-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-piperidin-1-ylpyrimidin-2-yl]propanoate
CID 143341240
ethane;N-[(E)-(3-methylphenyl)methylideneamino]-4-piperidin-1-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine
CID 143341573
3-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 5340802
2-[2-(methylamino)ethoxy]-4-N-[(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine
CID 66682212

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methylphenyl)methylideneamino]-6-piperidin-1-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-amine?
The IUPAC name of N-[(E)-(3-methylphenyl)methylideneamino]-6-piperidin-1-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-amine (CID 89163617) is N-[(E)-(3-methylphenyl)methylideneamino]-6-piperidin-1-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-amine.
What is the SMILES notation for N-[(E)-(3-methylphenyl)methylideneamino]-6-piperidin-1-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-amine?
The canonical SMILES for N-[(E)-(3-methylphenyl)methylideneamino]-6-piperidin-1-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-amine is Cc1cccc(/C=N/Nc2cc(N3CCCCC3)nc(OCCOc3cccnc3)n2)c1.
What is the InChIKey of N-[(E)-(3-methylphenyl)methylideneamino]-6-piperidin-1-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-amine?
The InChIKey is FNWAPFWXQYLMPN-YZSQISJMSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-19-7-5-8-20(15-19)17-26-29-22-16-23(30-11-3-2-4-12-30)28-24(27-22)32-14-13-31-21-9-6-10-25-18-21/h5-10,15-18H,2-4,11-14H2,1H3,(H,27,28,29)/b26-17+.
What are the key properties of N-[(E)-(3-methylphenyl)methylideneamino]-6-piperidin-1-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-amine?
N-[(E)-(3-methylphenyl)methylideneamino]-6-piperidin-1-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-amine has a molecular weight of 432.53 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methylphenyl)methylideneamino]-6-piperidin-1-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-amine is sourced from PubChem (CID 89163617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).