2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine

C18H23N5O — CID 5368217

IUPAC2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
SMILESC/C(=N/Nc1cc(N2CCOCC2)nc(C)n1)c1ccc(C)cc1
InChIInChI=1S/C18H23N5O/c1-13-4-6-16(7-5-13)14(2)21-22-17-12-18(20-15(3)19-17)23-8-10-24-11-9-23/h4-7,12H,8-11H2,1-3H3,(H,19,20,22)/b21-14-
InChIKeyHGSHQYOJJGNIMV-STZFKDTASA-N
MW325.42 g/mol
LogP2.77
Rot. Bonds4

About 2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine

2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 5368217) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID5368217
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
SMILESC/C(=N/Nc1cc(N2CCOCC2)nc(C)n1)c1ccc(C)cc1
InChIInChI=1S/C18H23N5O/c1-13-4-6-16(7-5-13)14(2)21-22-17-12-18(20-15(3)19-17)23-8-10-24-11-9-23/h4-7,12H,8-11H2,1-3H3,(H,19,20,22)/b21-14-
InChIKeyHGSHQYOJJGNIMV-STZFKDTASA-N
XLogP2.77
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[1-(4-bromophenyl)ethylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 3409848
N-[(Z)-1-(4-butylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
CID 5379195
4-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135443121
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 70702870
6-(4-methoxyphenyl)-2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
CID 16747550
1-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone
CID 122340897
N-[(Z)-(4-methylphenyl)methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 6252798
4-acetyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122294236
2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56700339
N-(2,5-dimethylphenyl)-4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50748010
6-(2-fluorophenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
CID 59846647
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine (CID 5368217) is 2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine is C/C(=N/Nc1cc(N2CCOCC2)nc(C)n1)c1ccc(C)cc1.
What is the InChIKey of 2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is HGSHQYOJJGNIMV-STZFKDTASA-N. The full InChI is InChI=1S/C18H23N5O/c1-13-4-6-16(7-5-13)14(2)21-22-17-12-18(20-15(3)19-17)23-8-10-24-11-9-23/h4-7,12H,8-11H2,1-3H3,(H,19,20,22)/b21-14-.
What are the key properties of 2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine?
2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 325.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 5368217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).