4,6-dimethyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyrimidin-2-amine

C17H21N5O — CID 5345051

IUPAC4,6-dimethyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyrimidin-2-amine
SMILESCc1cc(C)nc(N/N=C/c2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C17H21N5O/c1-13-11-14(2)20-17(19-13)21-18-12-15-3-5-16(6-4-15)22-7-9-23-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,21)/b18-12+
InChIKeyUREMOXSJSBJSJF-LDADJPATSA-N
MW311.39 g/mol
LogP2.38
Rot. Bonds4

About 4,6-dimethyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyrimidin-2-amine

4,6-dimethyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyrimidin-2-amine (PubChem CID 5345051) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyrimidin-2-amine
PubChem CID5345051
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name4,6-dimethyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyrimidin-2-amine
SMILESCc1cc(C)nc(N/N=C/c2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C17H21N5O/c1-13-11-14(2)20-17(19-13)21-18-12-15-3-5-16(6-4-15)22-7-9-23-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,21)/b18-12+
InChIKeyUREMOXSJSBJSJF-LDADJPATSA-N
XLogP2.38
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(Morpholin-4-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815439
5-(4-(Dimethylamino)phenyl)-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine
CID 11987868
N-[4-[2-[(4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl]phenyl]ethanamide
CID 24877326
{4-[(4,6-Dimethyl-pyrimidin-2-yl)-hydrazonomethyl]-phenyl}-diethyl-amine
CID 9585548
N-benzyl-4-{(2E)-2-[4-(dimethylamino)benzylidene]hydrazinyl}-6-methylpyrimidin-2-amine
CID 9627919
Diethyl-(2-morpholin-4-yl-quinazolin-4-yl)-amine
CID 6457762
4-Quinazolinamine, 2-(4-morpholinyl)-
CID 660065
4-(4-Fluoro-alpha-methylbenzylidenehydrazino)-2-methyl-6-morpholinopyrimidine
CID 9589770
4-(4-Fluorophenyl)-5-(2-morpholinoethyl)-2-pyrimidinamine
CID 3578049
N-[(E)-benzylideneamino]-4-pyridin-3-ylpyrimidin-2-amine
CID 9584648
N-(6-Morpholin-4-yl-pyrimidin-4-yl)-N'-(3-nitro-benzylidene)-hydrazine
CID 9589748
N-(6-Morpholin-4-yl-pyrimidin-4-yl)-N'-(1-phenyl-ethylidene)-hydrazine
CID 9589750

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyrimidin-2-amine (CID 5345051) is 4,6-dimethyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyrimidin-2-amine is Cc1cc(C)nc(N/N=C/c2ccc(N3CCOCC3)cc2)n1.
What is the InChIKey of 4,6-dimethyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyrimidin-2-amine?
The InChIKey is UREMOXSJSBJSJF-LDADJPATSA-N. The full InChI is InChI=1S/C17H21N5O/c1-13-11-14(2)20-17(19-13)21-18-12-15-3-5-16(6-4-15)22-7-9-23-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,21)/b18-12+.
What are the key properties of 4,6-dimethyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyrimidin-2-amine?
4,6-dimethyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyrimidin-2-amine has a molecular weight of 311.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 5345051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).