N-[(Z)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine

C20H27N5O2 — CID 9013581

IUPACN-[(Z)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCOc1ccc(/C(C)=N\Nc2nc(C)cc(C)n2)cc1CN1CCOCC1
InChIInChI=1S/C20H27N5O2/c1-14-11-15(2)22-20(21-14)24-23-16(3)17-5-6-19(26-4)18(12-17)13-25-7-9-27-10-8-25/h5-6,11-12H,7-10,13H2,1-4H3,(H,21,22,24)/b23-16-
InChIKeyHZPJBLFFMNGNDM-KQWNVCNZSA-N
MW369.47 g/mol
LogP2.77
Rot. Bonds6

About N-[(Z)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine

N-[(Z)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine (PubChem CID 9013581) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(Z)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(Z)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine
PubChem CID9013581
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[(Z)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCOc1ccc(/C(C)=N\Nc2nc(C)cc(C)n2)cc1CN1CCOCC1
InChIInChI=1S/C20H27N5O2/c1-14-11-15(2)22-20(21-14)24-23-16(3)17-5-6-19(26-4)18(12-17)13-25-7-9-27-10-8-25/h5-6,11-12H,7-10,13H2,1-4H3,(H,21,22,24)/b23-16-
InChIKeyHZPJBLFFMNGNDM-KQWNVCNZSA-N
XLogP2.77
TPSA71.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.77
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

2,3,4,5,6-pentafluoro-N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]aniline
CID 9466416
2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-oxoacetic acid
CID 117447646
3-chloro-N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]aniline
CID 9076601
methyl N-[(Z)-1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]carbamate
CID 9075342
N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029761
1-[3-(morpholin-4-ylmethyl)-4-propan-2-yloxyphenyl]ethylidenehydrazine
CID 834164
(E)-3-(3,4-dimethoxyphenyl)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one
CID 8830206
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270
1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-(methylamino)ethanol
CID 117450269
N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride
CID 17216121
ethyl 2-hydroxy-2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]acetate
CID 117494133

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(Z)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine (CID 9013581) is N-[(Z)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(Z)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(Z)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine is COc1ccc(/C(C)=N\Nc2nc(C)cc(C)n2)cc1CN1CCOCC1.
What is the InChIKey of N-[(Z)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is HZPJBLFFMNGNDM-KQWNVCNZSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14-11-15(2)22-20(21-14)24-23-16(3)17-5-6-19(26-4)18(12-17)13-25-7-9-27-10-8-25/h5-6,11-12H,7-10,13H2,1-4H3,(H,21,22,24)/b23-16-.
What are the key properties of N-[(Z)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine?
N-[(Z)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 369.47 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 9013581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).