N-[(Z)-(2-methoxyphenyl)methylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine

C17H21N5O2 — CID 6279740

IUPACN-[(Z)-(2-methoxyphenyl)methylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ccccc1/C=N\Nc1cc(C)nc(N2CCOCC2)n1
InChIInChI=1S/C17H21N5O2/c1-13-11-16(20-17(19-13)22-7-9-24-10-8-22)21-18-12-14-5-3-4-6-15(14)23-2/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,21)/b18-12-
InChIKeyNIQGSAWMLHWKQL-PDGQHHTCSA-N
MW327.39 g/mol
LogP2.08
Rot. Bonds5

About N-[(Z)-(2-methoxyphenyl)methylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine

N-[(Z)-(2-methoxyphenyl)methylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 6279740) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[(Z)-(2-methoxyphenyl)methylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(Z)-(2-methoxyphenyl)methylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID6279740
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[(Z)-(2-methoxyphenyl)methylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ccccc1/C=N\Nc1cc(C)nc(N2CCOCC2)n1
InChIInChI=1S/C17H21N5O2/c1-13-11-16(20-17(19-13)22-7-9-24-10-8-22)21-18-12-14-5-3-4-6-15(14)23-2/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,21)/b18-12-
InChIKeyNIQGSAWMLHWKQL-PDGQHHTCSA-N
XLogP2.08
TPSA71.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-[(Z)-(2-fluorophenyl)methylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 6165117
N-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 3504082
N-[[2-[2-(3-methylphenoxy)ethoxy]phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 4273453
2-methoxy-6-[[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 3091862
2-[(Z)-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol
CID 136714352
2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 2842064
4-N-(4-methoxyphenyl)-2-N-[(Z)-(2-methylphenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 6026351
N-[(Z)-(4-methylphenyl)methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 6252798
4-methoxy-6-morpholin-4-yl-N-(naphthalen-1-ylmethylideneamino)-1,3,5-triazin-2-amine
CID 3099879
2-methoxy-6-[[[4-morpholin-4-yl-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 3314272
2-[2-[[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 4767404
2-[(Z)-[[4-(3-bromoanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 135887742

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-methoxyphenyl)methylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[(Z)-(2-methoxyphenyl)methylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine (CID 6279740) is N-[(Z)-(2-methoxyphenyl)methylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(Z)-(2-methoxyphenyl)methylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[(Z)-(2-methoxyphenyl)methylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine is COc1ccccc1/C=N\Nc1cc(C)nc(N2CCOCC2)n1.
What is the InChIKey of N-[(Z)-(2-methoxyphenyl)methylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is NIQGSAWMLHWKQL-PDGQHHTCSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-13-11-16(20-17(19-13)22-7-9-24-10-8-22)21-18-12-14-5-3-4-6-15(14)23-2/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,21)/b18-12-.
What are the key properties of N-[(Z)-(2-methoxyphenyl)methylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
N-[(Z)-(2-methoxyphenyl)methylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 327.39 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-methoxyphenyl)methylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 6279740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).