4-[(2E)-2-[[6-[butyl(propyl)amino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]phenol

C25H32N6O2 — CID 143847127

IUPAC4-[(2E)-2-[[6-[butyl(propyl)amino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]phenol
SMILESCCCCN(CCC)c1cc(/C=N/Nc2ccc(O)cc2)nc(OCCc2ccccn2)n1
InChIInChI=1S/C25H32N6O2/c1-3-5-16-31(15-4-2)24-18-22(19-27-30-21-9-11-23(32)12-10-21)28-25(29-24)33-17-13-20-8-6-7-14-26-20/h6-12,14,18-19,30,32H,3-5,13,15-17H2,1-2H3/b27-19+
InChIKeyBIUWVZMPFPIABK-ZXVVBBHZSA-N
MW448.57 g/mol
LogP4.66
Rot. Bonds13

About 4-[(2E)-2-[[6-[butyl(propyl)amino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]phenol

4-[(2E)-2-[[6-[butyl(propyl)amino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]phenol (PubChem CID 143847127) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 4-[(2E)-2-[[6-[butyl(propyl)amino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]phenol.

Molecular Properties

Compound Name4-[(2E)-2-[[6-[butyl(propyl)amino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]phenol
PubChem CID143847127
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC Name4-[(2E)-2-[[6-[butyl(propyl)amino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]phenol
SMILESCCCCN(CCC)c1cc(/C=N/Nc2ccc(O)cc2)nc(OCCc2ccccn2)n1
InChIInChI=1S/C25H32N6O2/c1-3-5-16-31(15-4-2)24-18-22(19-27-30-21-9-11-23(32)12-10-21)28-25(29-24)33-17-13-20-8-6-7-14-26-20/h6-12,14,18-19,30,32H,3-5,13,15-17H2,1-2H3/b27-19+
InChIKeyBIUWVZMPFPIABK-ZXVVBBHZSA-N
XLogP4.66
TPSA95.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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

6-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 89358334
6-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 89332198
6-[(E)-[(2,5-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 143340667
2-[2-[ethyl(pentyl)amino]ethoxy]-6-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine
CID 143340641
6-N-[(E)-(3-iodophenyl)methylideneamino]-4-N,4-N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine
CID 143533368
2-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyridin-4-amine
CID 143341085
6-[(E)-(3-methylphenyl)methylideneamino]oxy-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 89358533
2-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyridin-4-amine;ethane
CID 143340929
N-[(E)-[4-(dipropylamino)-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methylideneamino]-1H-indol-3-amine
CID 89332059
6-[(E)-1H-indol-3-ylmethylideneamino]oxy-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 136642533
2-N-[(E)-[4-(dipropylamino)-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methylideneamino]-4-methylbenzene-1,2-diamine;ethane
CID 143341180
3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline
CID 11166016

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-[[6-[butyl(propyl)amino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]phenol?
The IUPAC name of 4-[(2E)-2-[[6-[butyl(propyl)amino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]phenol (CID 143847127) is 4-[(2E)-2-[[6-[butyl(propyl)amino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]phenol.
What is the SMILES notation for 4-[(2E)-2-[[6-[butyl(propyl)amino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]phenol?
The canonical SMILES for 4-[(2E)-2-[[6-[butyl(propyl)amino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]phenol is CCCCN(CCC)c1cc(/C=N/Nc2ccc(O)cc2)nc(OCCc2ccccn2)n1.
What is the InChIKey of 4-[(2E)-2-[[6-[butyl(propyl)amino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]phenol?
The InChIKey is BIUWVZMPFPIABK-ZXVVBBHZSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-3-5-16-31(15-4-2)24-18-22(19-27-30-21-9-11-23(32)12-10-21)28-25(29-24)33-17-13-20-8-6-7-14-26-20/h6-12,14,18-19,30,32H,3-5,13,15-17H2,1-2H3/b27-19+.
What are the key properties of 4-[(2E)-2-[[6-[butyl(propyl)amino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]phenol?
4-[(2E)-2-[[6-[butyl(propyl)amino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]phenol has a molecular weight of 448.57 g/mol, XLogP of 4.66, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-[[6-[butyl(propyl)amino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]phenol is sourced from PubChem (CID 143847127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).