2-[2-[ethyl(pentyl)amino]ethoxy]-6-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine

C30H44N6O — CID 143340641

IUPAC2-[2-[ethyl(pentyl)amino]ethoxy]-6-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine
SMILESCCCCCN(CC)CCOc1nc(/C=N/Nc2ccc3ccccc3c2)cc(N(CCC)CCC)n1
InChIInChI=1S/C30H44N6O/c1-5-9-12-19-35(8-4)20-21-37-30-32-28(23-29(33-30)36(17-6-2)18-7-3)24-31-34-27-16-15-25-13-10-11-14-26(25)22-27/h10-11,13-16,22-24,34H,5-9,12,17-21H2,1-4H3/b31-24+
InChIKeyJPUWVXRSAUHDGU-QFMPWRQOSA-N
MW504.72 g/mol
LogP6.59
Rot. Bonds17

About 2-[2-[ethyl(pentyl)amino]ethoxy]-6-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine

2-[2-[ethyl(pentyl)amino]ethoxy]-6-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine (PubChem CID 143340641) has the molecular formula C30H44N6O and a molecular weight of 504.72 g/mol. Its IUPAC name is 2-[2-[ethyl(pentyl)amino]ethoxy]-6-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-[ethyl(pentyl)amino]ethoxy]-6-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine
PubChem CID143340641
Molecular FormulaC30H44N6O
Molecular Weight504.72 g/mol
Exact Mass504.36
IUPAC Name2-[2-[ethyl(pentyl)amino]ethoxy]-6-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine
SMILESCCCCCN(CC)CCOc1nc(/C=N/Nc2ccc3ccccc3c2)cc(N(CCC)CCC)n1
InChIInChI=1S/C30H44N6O/c1-5-9-12-19-35(8-4)20-21-37-30-32-28(23-29(33-30)36(17-6-2)18-7-3)24-31-34-27-16-15-25-13-10-11-14-26(25)22-27/h10-11,13-16,22-24,34H,5-9,12,17-21H2,1-4H3/b31-24+
InChIKeyJPUWVXRSAUHDGU-QFMPWRQOSA-N
XLogP6.59
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.72
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
4-[(2E)-2-[[6-[butyl(propyl)amino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]phenol
CID 143847127
6-[(E)-[(2,5-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 143340667
2-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyridin-4-amine
CID 143341085
ethane;6-(2-morpholin-4-ylethoxy)-2-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine
CID 143533554
6-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine
CID 89332288
6-[(E)-[[(Z)-1-butan-2-ylsulfanylbut-1-enyl]hydrazinylidene]methyl]-2-[2-(methylamino)ethoxy]-N,N-dipropylpyrimidin-4-amine;ethane
CID 143340877
1-[4-(dipropylamino)-6-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]pyrimidin-2-yl]oxy-2-methylpropan-2-ol
CID 143340701
6-N-[(E)-(3-iodophenyl)methylideneamino]-4-N,4-N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine
CID 143533368
N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine
CID 5333118
2-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyridin-4-amine;ethane
CID 143340929

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(pentyl)amino]ethoxy]-6-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine?
The IUPAC name of 2-[2-[ethyl(pentyl)amino]ethoxy]-6-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine (CID 143340641) is 2-[2-[ethyl(pentyl)amino]ethoxy]-6-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine.
What is the SMILES notation for 2-[2-[ethyl(pentyl)amino]ethoxy]-6-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine?
The canonical SMILES for 2-[2-[ethyl(pentyl)amino]ethoxy]-6-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine is CCCCCN(CC)CCOc1nc(/C=N/Nc2ccc3ccccc3c2)cc(N(CCC)CCC)n1.
What is the InChIKey of 2-[2-[ethyl(pentyl)amino]ethoxy]-6-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine?
The InChIKey is JPUWVXRSAUHDGU-QFMPWRQOSA-N. The full InChI is InChI=1S/C30H44N6O/c1-5-9-12-19-35(8-4)20-21-37-30-32-28(23-29(33-30)36(17-6-2)18-7-3)24-31-34-27-16-15-25-13-10-11-14-26(25)22-27/h10-11,13-16,22-24,34H,5-9,12,17-21H2,1-4H3/b31-24+.
What are the key properties of 2-[2-[ethyl(pentyl)amino]ethoxy]-6-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine?
2-[2-[ethyl(pentyl)amino]ethoxy]-6-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine has a molecular weight of 504.72 g/mol, XLogP of 6.59, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(pentyl)amino]ethoxy]-6-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine is sourced from PubChem (CID 143340641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).