N-[(E)-(4-methoxyphenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine

C20H26N6O — CID 5334618

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
SMILESCOc1ccc(/C=N/Nc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C20H26N6O/c1-27-17-8-6-16(7-9-17)15-21-24-18-14-19(25-10-2-3-11-25)23-20(22-18)26-12-4-5-13-26/h6-9,14-15H,2-5,10-13H2,1H3,(H,22,23,24)/b21-15+
InChIKeySPKHEQRHPVZIPW-RCCKNPSSSA-N
MW366.47 g/mol
LogP3.13
Rot. Bonds6

About N-[(E)-(4-methoxyphenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine

N-[(E)-(4-methoxyphenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 5334618) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
PubChem CID5334618
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
SMILESCOc1ccc(/C=N/Nc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C20H26N6O/c1-27-17-8-6-16(7-9-17)15-21-24-18-14-19(25-10-2-3-11-25)23-20(22-18)26-12-4-5-13-26/h6-9,14-15H,2-5,10-13H2,1H3,(H,22,23,24)/b21-15+
InChIKeySPKHEQRHPVZIPW-RCCKNPSSSA-N
XLogP3.13
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.13
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

4-Methoxybenzaldehyde [2,6-bis(dimethylamino)-4-pyrimidinyl]hydrazone
CID 9586074
4-{4-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}morpholine
CID 9609361
4-(4-Butoxybenzylidenehydrazino)-2-methyl-6-morpholinopyrimidine
CID 9589764
4-{4-[(2E)-2-(4-ethoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}morpholine
CID 9610620
4-{4-[(2E)-2-(2-methoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}morpholine
CID 9609048
4-Methoxybenzaldehyde (6-methoxy-4-pyrimidinyl)hydrazone
CID 5338831
4-Methoxybenzaldehyde (2-amino-6-methyl-4-pyrimidinyl)hydrazone
CID 5350050
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-[(2Z)-2-(2-methoxybenzylidene)hydrazinyl]-6-methylpyrimidine
CID 5903656
3-Hydroxybenzaldehyde (2,6-di-1-pyrrolidinyl-4-pyrimidinyl)hydrazone
CID 9566583
N-(2,4-Dimethoxy-benzylidene)-N'-(2-methyl-6-morpholin-4-yl-pyrimidin-4-yl)-hydrazine
CID 9589776
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-6-methylpyrimidine
CID 9607467
6-[(2E)-2-[(2-Methoxyphenyl)methylidene]hydrazin-1-YL]-N2,N2,N4,N4-tetramethylpyrimidine-2,4-diamine
CID 9698414

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine (CID 5334618) is N-[(E)-(4-methoxyphenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine is COc1ccc(/C=N/Nc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is SPKHEQRHPVZIPW-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H26N6O/c1-27-17-8-6-16(7-9-17)15-21-24-18-14-19(25-10-2-3-11-25)23-20(22-18)26-12-4-5-13-26/h6-9,14-15H,2-5,10-13H2,1H3,(H,22,23,24)/b21-15+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine?
N-[(E)-(4-methoxyphenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 366.47 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 5334618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).