2-[2-(3,4-dihydropyridin-6-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-amine;(3-methylphenyl)methanimine

C23H30N6O2 — CID 145170671

IUPAC2-[2-(3,4-dihydropyridin-6-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-amine;(3-methylphenyl)methanimine
SMILESNc1cc(N2CCOCC2)nc(OCCC2=CCCC=N2)n1.[H]/N=C/c1cccc(C)c1
InChIInChI=1S/C15H21N5O2.C8H9N/c16-13-11-14(20-6-9-21-10-7-20)19-15(18-13)22-8-4-12-3-1-2-5-17-12;1-7-3-2-4-8(5-7)6-9/h3,5,11H,1-2,4,6-10H2,(H2,16,18,19);2-6,9H,1H3/b;9-6+
InChIKeyXZDRNDQIRDYLFF-RRJFPGPQSA-N
MW422.53 g/mol
LogP3.41
Rot. Bonds6

About 2-[2-(3,4-dihydropyridin-6-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-amine;(3-methylphenyl)methanimine

2-[2-(3,4-dihydropyridin-6-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-amine;(3-methylphenyl)methanimine (PubChem CID 145170671) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-[2-(3,4-dihydropyridin-6-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-amine;(3-methylphenyl)methanimine.

Molecular Properties

Compound Name2-[2-(3,4-dihydropyridin-6-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-amine;(3-methylphenyl)methanimine
PubChem CID145170671
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name2-[2-(3,4-dihydropyridin-6-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-amine;(3-methylphenyl)methanimine
SMILESNc1cc(N2CCOCC2)nc(OCCC2=CCCC=N2)n1.[H]/N=C/c1cccc(C)c1
InChIInChI=1S/C15H21N5O2.C8H9N/c16-13-11-14(20-6-9-21-10-7-20)19-15(18-13)22-8-4-12-3-1-2-5-17-12;1-7-3-2-4-8(5-7)6-9/h3,5,11H,1-2,4,6-10H2,(H2,16,18,19);2-6,9H,1H3/b;9-6+
InChIKeyXZDRNDQIRDYLFF-RRJFPGPQSA-N
XLogP3.41
TPSA109.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-N,4-N-dimethyl-2-(2-morpholin-4-ylethoxy)pyrimidine-4,6-diamine;(3-methylphenyl)methanimine;molecular hydrogen
CID 143846877
(3-methylphenyl)methanimine;7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine
CID 142437689
2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl morpholine-4-carboxylate
CID 58613205
5-[(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 140649039
(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]oxymethanimine
CID 11510369
4-[2-[2-(1-methylimidazol-4-yl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156832043
N'-(4-amino-6-morpholin-4-ylpyrimidin-2-yl)benzenecarboximidamide;molecular hydrogen;phenylmethanimine
CID 142437698
3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline
CID 11166016
2-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-4-yl]oxyethyl morpholine-4-carboxylate
CID 11662808
N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine
CID 66683532
N-[[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]methyl]-1-(3-methylphenyl)methanimine
CID 58060423
4-methyl-2-N-[[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]benzene-1,2-diamine
CID 66648013

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dihydropyridin-6-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-amine;(3-methylphenyl)methanimine?
The IUPAC name of 2-[2-(3,4-dihydropyridin-6-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-amine;(3-methylphenyl)methanimine (CID 145170671) is 2-[2-(3,4-dihydropyridin-6-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-amine;(3-methylphenyl)methanimine.
What is the SMILES notation for 2-[2-(3,4-dihydropyridin-6-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-amine;(3-methylphenyl)methanimine?
The canonical SMILES for 2-[2-(3,4-dihydropyridin-6-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-amine;(3-methylphenyl)methanimine is Nc1cc(N2CCOCC2)nc(OCCC2=CCCC=N2)n1.[H]/N=C/c1cccc(C)c1.
What is the InChIKey of 2-[2-(3,4-dihydropyridin-6-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-amine;(3-methylphenyl)methanimine?
The InChIKey is XZDRNDQIRDYLFF-RRJFPGPQSA-N. The full InChI is InChI=1S/C15H21N5O2.C8H9N/c16-13-11-14(20-6-9-21-10-7-20)19-15(18-13)22-8-4-12-3-1-2-5-17-12;1-7-3-2-4-8(5-7)6-9/h3,5,11H,1-2,4,6-10H2,(H2,16,18,19);2-6,9H,1H3/b;9-6+.
What are the key properties of 2-[2-(3,4-dihydropyridin-6-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-amine;(3-methylphenyl)methanimine?
2-[2-(3,4-dihydropyridin-6-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-amine;(3-methylphenyl)methanimine has a molecular weight of 422.53 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dihydropyridin-6-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-amine;(3-methylphenyl)methanimine is sourced from PubChem (CID 145170671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).