5-[(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine

C23H26N6O2 — CID 140649039

IUPAC5-[(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
SMILESCc1cccc(/C=N/c2c(N)nc(OCCc3ccccn3)nc2N2CCOCC2)c1
InChIInChI=1S/C23H26N6O2/c1-17-5-4-6-18(15-17)16-26-20-21(24)27-23(28-22(20)29-10-13-30-14-11-29)31-12-8-19-7-2-3-9-25-19/h2-7,9,15-16H,8,10-14H2,1H3,(H2,24,27,28)/b26-16+
InChIKeyPHYASKKLVWPSOY-WGOQTCKBSA-N
MW418.50 g/mol
LogP2.97
Rot. Bonds7

About 5-[(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine

5-[(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine (PubChem CID 140649039) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 5-[(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-[(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
PubChem CID140649039
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name5-[(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
SMILESCc1cccc(/C=N/c2c(N)nc(OCCc3ccccn3)nc2N2CCOCC2)c1
InChIInChI=1S/C23H26N6O2/c1-17-5-4-6-18(15-17)16-26-20-21(24)27-23(28-22(20)29-10-13-30-14-11-29)31-12-8-19-7-2-3-9-25-19/h2-7,9,15-16H,8,10-14H2,1H3,(H2,24,27,28)/b26-16+
InChIKeyPHYASKKLVWPSOY-WGOQTCKBSA-N
XLogP2.97
TPSA98.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline
CID 11166016
6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 66681684
4-methyl-2-N-[[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]benzene-1,2-diamine
CID 66648013
4-methyl-2-N-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]benzene-1,2-diamine
CID 11235876
N-[(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 66681810
ethane;N-[(E)-(3-methylphenyl)methylideneamino]-4-piperidin-1-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine
CID 143341573
1-(3-methylphenyl)-2-[1-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]ethenyl]hydrazine
CID 89163648
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
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-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 5-[(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
The IUPAC name of 5-[(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine (CID 140649039) is 5-[(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-[(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
The canonical SMILES for 5-[(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine is Cc1cccc(/C=N/c2c(N)nc(OCCc3ccccn3)nc2N2CCOCC2)c1.
What is the InChIKey of 5-[(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
The InChIKey is PHYASKKLVWPSOY-WGOQTCKBSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-17-5-4-6-18(15-17)16-26-20-21(24)27-23(28-22(20)29-10-13-30-14-11-29)31-12-8-19-7-2-3-9-25-19/h2-7,9,15-16H,8,10-14H2,1H3,(H2,24,27,28)/b26-16+.
What are the key properties of 5-[(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
5-[(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine has a molecular weight of 418.50 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine is sourced from PubChem (CID 140649039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).