N-[(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine

C22H23FN6O2 — CID 66681810

IUPACN-[(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
SMILESFc1cccc(C=NNc2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1
InChIInChI=1S/C22H23FN6O2/c23-18-5-3-4-17(14-18)16-25-28-20-15-21(29-9-12-30-13-10-29)27-22(26-20)31-11-7-19-6-1-2-8-24-19/h1-6,8,14-16H,7,9-13H2,(H,26,27,28)
InChIKeyMAOPIKCQESVCDC-UHFFFAOYSA-N
MW422.46 g/mol
LogP2.91
Rot. Bonds8

About N-[(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine

N-[(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine (PubChem CID 66681810) has the molecular formula C22H23FN6O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
PubChem CID66681810
Molecular FormulaC22H23FN6O2
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC NameN-[(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
SMILESFc1cccc(C=NNc2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1
InChIInChI=1S/C22H23FN6O2/c23-18-5-3-4-17(14-18)16-25-28-20-15-21(29-9-12-30-13-10-29)27-22(26-20)31-11-7-19-6-1-2-8-24-19/h1-6,8,14-16H,7,9-13H2,(H,26,27,28)
InChIKeyMAOPIKCQESVCDC-UHFFFAOYSA-N
XLogP2.91
TPSA84.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(2-iodo-4-pyridinyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 172933395
N-[(E)-(3-chlorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-(3-iodophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;1-[2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]pyridin-2-one
CID 172951665
6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 66681684
3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline
CID 11166016
2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl morpholine-4-carboxylate
CID 58613205
4-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-2-yloxypyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyridin-2-ylpropan-2-yloxy)pyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyrimidin-2-ylethoxy)pyrimidin-4-amine
CID 172946817
4-methyl-2-N-[[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]benzene-1,2-diamine
CID 66648013
2,3-dimethyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]-1H-indol-5-amine
CID 11454233
5-[(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 140649039
N-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine
CID 11178549
N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine
CID 66683532
4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine
CID 11646521

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
The IUPAC name of N-[(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine (CID 66681810) is N-[(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
The canonical SMILES for N-[(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine is Fc1cccc(C=NNc2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
The InChIKey is MAOPIKCQESVCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O2/c23-18-5-3-4-17(14-18)16-25-28-20-15-21(29-9-12-30-13-10-29)27-22(26-20)31-11-7-19-6-1-2-8-24-19/h1-6,8,14-16H,7,9-13H2,(H,26,27,28).
What are the key properties of N-[(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
N-[(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine has a molecular weight of 422.46 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine is sourced from PubChem (CID 66681810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).